Geometry & MOs

Info

ID:	404379
PubChem CID:	135066050
Reduced:	BrClOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	290.00731
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	1.57
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-bromo-2-chloro-2-methyl-5-phenylpentan-1-ol

Drug info:

PubChemData

Smile

C[C@@](CCC1=CC=CC=C1)([C@H](CO)Cl)Br

DOS

IR

Vibrations