Geometry & MOs

Info

ID:	395160
PubChem CID:	135024807
Reduced:	N3O3C15H23 (2)
Stoich.:	A3B3C15D23 (2)
Weight, g/mol:	654.413625
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	5.86
IP(EA), eV:	-4.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[[3,4-dioxo-2-(3-triethoxysilylpropylamino)cyclobuten-1-yl]amino]propyl-[3-[[3,4-dioxo-2-[3-(trimethylazaniumyl)propylamino]cyclobuten-1-yl]amino]propyl]-dimethylazanium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[N+](C)(C)CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)CCCNC2=C(C(=O)C2=O)NCCC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[N+](C)(C)CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)CCCNC2=C(C(=O)C2=O)NCCC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):