Geometry & MOs

Info

ID:	327137
PubChem CID:	126689073
Reduced:	ClO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	389.093104
ΔH_f, kcal/mol:	100.52
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=C(C(=CC=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations