Geometry & MOs

Info

ID:	47753
PubChem CID:	10535113
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	5.14
IP(EA), eV:	-10.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC(OC1=O)(C)C

DOS

IR

Vibrations