Geometry & MOs

Info

ID:	157979
PubChem CID:	56459368
Reduced:	NO2F3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	425.136254
ΔH_f, kcal/mol:	-189.7
Dipole, Da:	5.81
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(difluoromethyl)-N-methyl-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)CNC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F

DOS

IR

Vibrations