Geometry & MOs

Info

ID:	381751
PubChem CID:	134972573
Reduced:	OC6H11 (3)
Stoich.:	AB6C11 (3)
Weight, g/mol:	296.235145
ΔH_f, kcal/mol:	-175.38
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753832
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-3-(1-hydroxy-2-methylheptan-2-yl)-1,6-dimethylcyclohex-2-en-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCC(C)(CO)C1=CC([C@@H](CC1)C)(C)CC(=[OH+])O

DOS

IR

Vibrations