Geometry & MOs

Info

ID:	385662
PubChem CID:	134979669
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	2.43
IP(EA), eV:	-9.25(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3,3-dimethyl-1-[(1S)-3-methylcyclohex-3-en-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CCC[C@@H](C1)C(=O)[C@H](C(C)C)O

DOS

IR

Vibrations