Geometry & MOs

Info

ID:	11266
PubChem CID:	112702
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	2.09
IP(EA), eV:	-9.1(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC1=CCC(C(C1)(C)C)C(C)OC(=O)C

DOS

IR

Vibrations