Geometry & MOs

Info

ID:	302034
PubChem CID:	124338625
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	390.0743
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	6.8
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations