Geometry & MOs

Info

ID:	243859
PubChem CID:	99289467
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-(4-naphthalen-1-ylpiperidin-1-yl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC3=CC=CC=C32)C(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations