Geometry & MOs

Info

ID:	327227
PubChem CID:	126689284
Reduced:	FNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	470.212947
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	3.64
IP(EA), eV:	-10.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-[(3R)-1,4,4-trimethyl-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)(C1=CC=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations