Geometry & MOs

Info

ID:	372259
PubChem CID:	131294766
Reduced:	IOBr2F2H5C8 (1)
Stoich.:	ABC2D2E5F8 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-102.9
Dipole, Da:	3.02
IP(EA), eV:	-9.78(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyl-1,3-oxazol-4-yl)pyridin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1OC(F)F)Br)I)CBr

DOS

IR

Vibrations