Geometry & MOs

Info

ID:	441372
PubChem CID:	135234381
Reduced:	FN5H12C18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	94.08
Dipole, Da:	3.52
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)C3=C(N=C(N=N3)N)C4=CC=C(C=C4)F)N=C1

DOS

IR

Vibrations