Geometry & MOs

Info

ID:	178014
PubChem CID:	76262512
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	0.91
IP(EA), eV:	-8.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(3-methylphenyl)-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CNC(=O)C3CCC(NC3=O)C4=CC=CC=C4

DOS

IR

Vibrations