Geometry & MOs

Info

ID:	379520
PubChem CID:	134439246
Reduced:	FNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	396.158626
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	4.49
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-methylpyridin-2-yl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)N)F

DOS

IR

Vibrations