Geometry & MOs

Info

ID:	361079
PubChem CID:	127301969
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	9.34
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=O)N3)CC

DOS

IR

Vibrations