Geometry & MOs

Info

ID:	15364
PubChem CID:	439748
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	5.67
IP(EA), eV:	-10.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-enyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations