Geometry & MOs

Info

ID:	22359
PubChem CID:	596923
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	4.28
IP(EA), eV:	-9.73(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations