Geometry & MOs

Info

ID:	9510
PubChem CID:	90389
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	3.53
IP(EA), eV:	-9.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations