Geometry & MOs

Info

ID:	9087
PubChem CID:	85896
Reduced:	ClO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	228.091708
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	1.63
IP(EA), eV:	-9.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-methylpentane-2,4-diol

Drug info:

PubChemData

Smile

CC(C)(CC(C)(C1=CC=C(C=C1)Cl)O)O

DOS

IR

Vibrations