Geometry & MOs

Info

ID:	23475
PubChem CID:	603902
Reduced:	BrN2O5H11C17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	401.98513
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	6.11
IP(EA), eV:	-9.41(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations