Geometry & MOs

Info

ID:	302035
PubChem CID:	124338626
Reduced:	BrFON2C19H20 (1)
Stoich.:	ABCD2E19F20 (1)
Weight, g/mol:	346.124819
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	4.89
IP(EA), eV:	-8.96(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3F

DOS

IR

Vibrations