Geometry & MOs

Info

ID:	269782
PubChem CID:	103619019
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	3.33
IP(EA), eV:	-10.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-carbonyl)-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C(=O)C1)C(=O)C2=CN=CC=C2)C

DOS

IR

Vibrations