Geometry & MOs

Info

ID:	300253
PubChem CID:	121269976
Reduced:	ClN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	402.039879
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	4.15
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2-methyl-4-nitro-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CC(=C3Cl)NC(=O)CO

DOS

IR

Vibrations