Geometry & MOs

Info

ID:	393339
PubChem CID:	135020197
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	21.77
Dipole, Da:	1.61
IP(EA), eV:	-10.07(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-3-methyl-2-[(2,6,6-trimethylcyclohexen-1-yl)methyl]buta-1,3-dienyl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C2C[C@H]3C1(C3C2)CC(C#C)O

DOS

IR

Vibrations