Geometry & MOs

Info

ID:	28284
PubChem CID:	826783
Reduced:	O3H16C19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	328.025084
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.53
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C/C(=C/C2=CC=CC=C2O)/C(=O)C1=CC3=CC=CC=C3O

DOS

IR

Vibrations