Geometry & MOs

Info

ID:	369995
PubChem CID:	127337083
Reduced:	OSN4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	5.84
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclopentylsulfanylphenyl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=CC=CC=C3SC4CCCC4

DOS

IR

Vibrations