Geometry & MOs

Info

ID:	105276
PubChem CID:	50106803
Reduced:	FO3N4C31H35 (1)
Stoich.:	AB3C4D31E35 (1)
Weight, g/mol:	594.16418
ΔH_f, kcal/mol:	-137.0
Dipole, Da:	11.17
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations