Geometry & MOs

Info

ID:	20834
PubChem CID:	586024
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-138.7
Dipole, Da:	1.74
IP(EA), eV:	-8.79(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations