Geometry & MOs

Info

ID:	327250
PubChem CID:	126689335
Reduced:	O3F4N4C25H26 (1)
Stoich.:	A3B4C4D25E26 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-280.39
Dipole, Da:	3.92
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CN1C2=C(C=C(C=C2)C3CCCN(C3=O)C)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F)(CO)F

DOS

IR

Vibrations