Geometry & MOs

Info

ID:	29170
PubChem CID:	832131
Reduced:	N3O4H7C13 (1)
Stoich.:	A3B4C7D13 (1)
Weight, g/mol:	301.030584
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	4.31
IP(EA), eV:	-9.71(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations