Geometry & MOs

Info

ID:	407495
PubChem CID:	135080240
Reduced:	BrClO2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	247.96036
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	1.48
IP(EA), eV:	-10.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-bromo-2-chloro-2-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC(=O)CC[C@H]([C@](C)(CO)Cl)Br

DOS

IR

Vibrations