Geometry & MOs

Info

ID:	144748
PubChem CID:	53407382
Reduced:	ClN2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	266.009434
ΔH_f, kcal/mol:	22.06
Dipole, Da:	8.3
IP(EA), eV:	-9.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-[(2-nitrophenyl)methylidene]-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=C2C=CNC2=C1)C=C3C(=NOC3=O)CCl

DOS

IR

Vibrations