Geometry & MOs

Info

ID:	82513
PubChem CID:	49856122
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	1.2
IP(EA), eV:	-10.02(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2,2-dimethyl-6-methylidene-5-oxocyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

CC1(CC[C@H](C(=C)[C@H]1CO)O)C

DOS

IR

Vibrations