Geometry & MOs

Info

ID:	9539
PubChem CID:	90720
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	2.39
IP(EA), eV:	-9.04(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl acetate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)C

DOS

IR

Vibrations