Geometry & MOs

Info

ID:	295103
PubChem CID:	117517384
Reduced:	BrFN2O2C14H20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	346.99055
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	3.1
IP(EA), eV:	-8.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-bromo-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C(C(=CC(=C2F)Br)OC)OC)CN

DOS

IR

Vibrations