Geometry & MOs

Info

ID:	105264
PubChem CID:	50106782
Reduced:	FO3N4C32H37 (1)
Stoich.:	AB3C4D32E37 (1)
Weight, g/mol:	544.248584
ΔH_f, kcal/mol:	-142.48
Dipole, Da:	10.96
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations