Geometry & MOs

Info

ID:	327243
PubChem CID:	126689321
Reduced:	F3O3N4C25H27 (1)
Stoich.:	A3B3C4D25E27 (1)
Weight, g/mol:	488.203525
ΔH_f, kcal/mol:	-236.66
Dipole, Da:	3.9
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-acetylpiperidin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations