Geometry & MOs

Info

ID:	412747
PubChem CID:	135085661
Reduced:	N2O3C6H12 (1)
Stoich.:	A2B3C6D12 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	4.04
IP(EA), eV:	-9.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-phenyloct-7-ene-1,3-dione

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)OC)/CCO

DOS

IR

Vibrations