Geometry & MOs

Info

ID:	22472
PubChem CID:	597350
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	4.11
IP(EA), eV:	-9.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-2-methylprop-2-enyl)-2,4,4-trimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1=O)(C)C)C(C(=C)C)O

DOS

IR

Vibrations