Geometry & MOs

Info

ID:	199808
PubChem CID:	79299302
Reduced:	ClC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	2.31
IP(EA), eV:	-9.35(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-cyclohexylethyl)-2-hydroxy-3-methylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations