Geometry & MOs

Info

ID:	347544
PubChem CID:	127272399
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-64.15
Dipole, Da:	1.62
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(piperidin-1-ylmethyl)phenyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

DOS

IR

Vibrations