Geometry & MOs

Info

ID:	70916
PubChem CID:	48414042
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	3.29
IP(EA), eV:	-9.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C

DOS

IR

Vibrations