Geometry & MOs

Info

ID:	9714
PubChem CID:	92564
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	4.67
IP(EA), eV:	-9.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC=CC(=O)C1=C(CC(CC1(C)C)O)C

DOS

IR

Vibrations