Geometry & MOs

Info

ID:	23372
PubChem CID:	603227
Reduced:	BrNO3H10C17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	354.98441
ΔH_f, kcal/mol:	20.45
Dipole, Da:	3.46
IP(EA), eV:	-10.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromobenzoyl)-1,2-oxazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CON=C2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations