Geometry & MOs

Info

ID:	317730
PubChem CID:	126645560
Reduced:	F3N3O3H6C10 (1)
Stoich.:	A3B3C3D6E10 (1)
Weight, g/mol:	341.089937
ΔH_f, kcal/mol:	-196.79
Dipole, Da:	6.68
IP(EA), eV:	-10.15(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-methoxycarbonyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NC(=N2)C(=O)O)OC(F)(F)F

DOS

IR

Vibrations