Geometry & MOs

Info

ID:	309486
PubChem CID:	126546572
Reduced:	PSN6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	391.175673
ΔH_f, kcal/mol:	143.68
Dipole, Da:	5.43
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-2-amino-2-(3-iminopropylamino)-1-nitrosoethenyl]benzimidazol-1-yl]-1-(4-aminophenyl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=NC=C(C=N2)C3=NC=C(S3)CC#N)C4=C(C=CC=N4)P

DOS

IR

Vibrations