Geometry & MOs

Info

ID:	122365
PubChem CID:	50803911
Reduced:	F2N2O2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	420.160456
ΔH_f, kcal/mol:	-157.16
Dipole, Da:	3.74
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations