Geometry & MOs

Info

ID:	122366
PubChem CID:	50803912
Reduced:	ClN2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	3.19
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)CC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations