Geometry & MOs

Info

ID:	165356
PubChem CID:	74536834
Reduced:	NO4C12H24 (1)
Stoich.:	AB4C12D24 (1)
Weight, g/mol:	408.10722
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754630
Charge, e:	-1

Chem-info

IUPAC name:

4-cyano-3-methyl-2-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]pyrido[1,2-a]benzimidazol-1-olate

Drug info:

PubChemData

Smile

C=CCOCC(C[NH2+]CC(COCC=C)O)O

DOS

IR

Vibrations