Geometry & MOs

Info

ID:	45336
PubChem CID:	10511475
Reduced:	N2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	3.38
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-en-2-yl]-5-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CN2C=NC=C2C=C1

DOS

IR

Vibrations