Geometry & MOs

Info

ID:	23345
PubChem CID:	603155
Reduced:	BrN2O4H9C16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	371.97457
ΔH_f, kcal/mol:	13.76
Dipole, Da:	3.68
IP(EA), eV:	-9.73(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-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)Br

DOS

IR

Vibrations