Geometry & MOs

Info

ID:	294932
PubChem CID:	117506114
Reduced:	BrN2O2F3H6C10 (1)
Stoich.:	AB2C2D3E6F10 (1)
Weight, g/mol:	321.95647
ΔH_f, kcal/mol:	-156.01
Dipole, Da:	3.18
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1,2-oxazol-4-yl)-6-bromo-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C2=C(ON=C2)N)O)C(F)(F)F)Br

DOS

IR

Vibrations