Geometry & MOs

Info

ID:	193780
PubChem CID:	78434632
Reduced:	O2N5F6H12C14 (1)
Stoich.:	A2B5C6D12E14 (1)
Weight, g/mol:	207.040582
ΔH_f, kcal/mol:	-213.36
Dipole, Da:	15.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.854455
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)C=CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations