Geometry & MOs

Info

ID:	8978
PubChem CID:	84505
Reduced:	N2O4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	208.048407
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	10.01
IP(EA), eV:	-9.96(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)ON1)C=C2C(=NOC2=O)C

DOS

IR

Vibrations