Geometry & MOs

Info

ID:	225453
PubChem CID:	85786956
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	247.059306
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	3.59
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-nitroanilino)methylidene]-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations