Geometry & MOs

Info

ID:	281995
PubChem CID:	103914645
Reduced:	BrNSO2C13H20 (1)
Stoich.:	ABCD2E13F20 (1)
Weight, g/mol:	338.13576
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	5.14
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)N[C@H](C)C1=CC=CC=C1Br

DOS

IR

Vibrations