Geometry & MOs

Info

ID:	426036
PubChem CID:	135135273
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	510.187875
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	3.52
IP(EA), eV:	-8.73(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-1-(2,3-dihydro-1H-benzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)CC2CCCN(C2)CC3=CN=C(N3C)NC(=O)C

DOS

IR

Vibrations