Geometry & MOs

Info

ID:	110238
PubChem CID:	50316463
Reduced:	FO3N4C31H35 (1)
Stoich.:	AB3C4D31E35 (1)
Weight, g/mol:	594.16418
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	6.13
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations