Geometry & MOs

Info

ID:	111139
PubChem CID:	50353644
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	3.55
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C

DOS

IR

Vibrations