Geometry & MOs

Info

ID:	294510
PubChem CID:	117465468
Reduced:	F3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	288.074621
ΔH_f, kcal/mol:	-272.56
Dipole, Da:	7.56
IP(EA), eV:	-10.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=CC(=C(C(=C2F)F)C(=O)O)F

DOS

IR

Vibrations