Geometry & MOs

Info

ID:	27187
PubChem CID:	819203
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	6.08
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C2=CNC(=O)NC2=O

DOS

IR

Vibrations