Geometry & MOs

Info

ID:	16637
PubChem CID:	474109
Reduced:	NBr2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	344.8823
ΔH_f, kcal/mol:	28.87
Dipole, Da:	3.04
IP(EA), eV:	-9.78(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dibromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)C(Br)Br

DOS

IR

Vibrations