Geometry & MOs

Info

ID:	23436
PubChem CID:	603486
Reduced:	ClN3O6H8C16 (1)
Stoich.:	AB3C6D8E16 (1)
Weight, g/mol:	373.010163
ΔH_f, kcal/mol:	2.77
Dipole, Da:	6.47
IP(EA), eV:	-10.02(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations