Geometry & MOs

Info

ID:	369994
PubChem CID:	127337082
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	4.53
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=CC=C(C=C3)OC4CCCC4

DOS

IR

Vibrations