Geometry & MOs

Info

ID:	45729
PubChem CID:	10517142
Reduced:	ON2F4H8C13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	4.65
IP(EA), eV:	-10.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,4-dimethyl-5-oxobenzo[c][2,7]naphthyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(O1)(C2=C(C=C(C=C2)F)F)C(C3=NC=CC=N3)(F)F

DOS

IR

Vibrations