Geometry & MOs

Info

ID:	325240
PubChem CID:	126682245
Reduced:	ON3C40H46 (1)
Stoich.:	AB3C40D46 (1)
Weight, g/mol:	376.251464
ΔH_f, kcal/mol:	61.2
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.774638
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4C)(C)C)/CCC3)OC6=CC=C(C=C6)N(C)C)C)C

DOS

IR

Vibrations