Geometry & MOs

Info

ID:

221692

PubChem CID:

85285983

Reduced:

O6N7H29C31 (1)

Stoich.:

A6B7C29D31 (1)

Weight, g/mol:

595.244914

ΔHf, kcal/mol:

-157.87

Dipole, Da:

11.86

IP(EA), eV:

 -8.56(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-2,4-dienylidene]amino]-phenylmethylidene]-dimethylazanium;perchlorate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)NC(=O)CCC(C(=O)O)NC(=O)C3=CC=C(C=C3)CCC4=CNC5=NC(=NC(=C45)N)N)C(=C1)C(=O)O

DOS

IR

Vibrations