Geometry & MOs

Info

ID:	341173
PubChem CID:	127263608
Reduced:	BrNH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	43.67
Dipole, Da:	1.42
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-amino-1-benzylpiperidin-3-ol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2C(=C1)C=C(N2)C3=CC=CC=C3)Br

DOS

IR

Vibrations