Geometry & MOs

Info

ID:	382889
PubChem CID:	134974305
Reduced:	N2O3C29H40 (1)
Stoich.:	A2B3C29D40 (1)
Weight, g/mol:	539.178235
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	3.96
IP(EA), eV:	-6.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;2-aminoethyl-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propyl]azanide;2-aminoethyl-[3-(3-methyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propyl]azanide

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

CCC1=CC(=C(C(=C1OC)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)OCC)C(CC)CCCO

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

CCC1=CC(=C(C(=C1OC)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)OCC)C(CC)CCCO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):