Geometry & MOs

Info

ID:	128410
PubChem CID:	51043135
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	319.118158
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	9.37
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-4-methyl-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC=N3

DOS

IR

Vibrations