Geometry & MOs

Info

ID:	95253
PubChem CID:	50007522
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	5.86
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations