Geometry & MOs

Info

ID:	325574
PubChem CID:	126684032
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	4.59
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[N-[(1Z)-buta-1,3-dienyl]-C-methylcarbonimidoyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C=C/C=C(/C1CC(=O)CC(=O)C1)\NC=C

DOS

IR

Vibrations