Geometry & MOs

Info

ID:	302040
PubChem CID:	124338771
Reduced:	ClFN2O3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	438.05098
ΔH_f, kcal/mol:	-138.92
Dipole, Da:	6.77
IP(EA), eV:	-8.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)OC

DOS

IR

Vibrations