Geometry & MOs

Info

ID:	282069
PubChem CID:	103915210
Reduced:	NBr2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-66.2
Dipole, Da:	3.3
IP(EA), eV:	-9.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CO)C(=O)C2=CC(=CC(=C2)Br)Br

DOS

IR

Vibrations