Geometry & MOs

Info

ID:	407717
PubChem CID:	135080472
Reduced:	ClOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-135.63
Dipole, Da:	2.35
IP(EA), eV:	-10.84(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C[C@H](C(C1)Cl)Cl

DOS

IR

Vibrations