Geometry & MOs

Info

ID:	404486
PubChem CID:	135066544
Reduced:	OH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	4.51
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethylfuran-2-yl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)C2=CC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations