Geometry & MOs

Info

ID:	260649
PubChem CID:	103198842
Reduced:	NF2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	352.93107
ΔH_f, kcal/mol:	-214.1
Dipole, Da:	7.42
IP(EA), eV:	-10.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,6-difluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=NC(=C(O2)C(=O)O)C(F)F

DOS

IR

Vibrations