Geometry & MOs

Info

ID:	158076
PubChem CID:	56462779
Reduced:	ClN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	418.124132
ΔH_f, kcal/mol:	-107.89
Dipole, Da:	6.31
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3Cl)N4CCOCC4

DOS

IR

Vibrations