Geometry & MOs

Info

ID:	439402
PubChem CID:	135229176
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	752.398993
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	3.4
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-[2-[2-[2-[2-[[(2E)-3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1H-pyrimidine-2-thione

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

CCCC(CO)NC1=NC=NC=C1CCC2=NC(=CC=C2)C(=O)C

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

CCCC(CO)NC1=NC=NC=C1CCC2=NC(=CC=C2)C(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):