Geometry & MOs

Info

ID:	309162
PubChem CID:	126539236
Reduced:	BrNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	825.399094
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	1.23
IP(EA), eV:	-10.5(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[bis[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]-3-cyano-4-phenylthiophen-2-ylidene]-(2-methylphenyl)-phenylazanium

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Br)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations