Geometry & MOs

Info

ID:	274263
PubChem CID:	103808081
Reduced:	OCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	4.98
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[1-(2-bromophenyl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)[C@@H]2CCCCN2

DOS

IR

Vibrations