Geometry & MOs

Info

ID:	260651
PubChem CID:	103198936
Reduced:	BrNF3O3H5C11 (1)
Stoich.:	ABC3D3E5F11 (1)
Weight, g/mol:	289.055049
ΔH_f, kcal/mol:	-198.88
Dipole, Da:	5.57
IP(EA), eV:	-10.53(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)Br)C2=NC(=C(O2)C(=O)O)C(F)F

DOS

IR

Vibrations