Geometry & MOs

Info

ID:	385661
PubChem CID:	134979660
Reduced:	WO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	81.77
Dipole, Da:	5.34
IP(EA), eV:	-6.3(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C=CCC[C@H]1C(=[W])OC

DOS

IR

Vibrations