Geometry & MOs

Info

ID:	441367
PubChem CID:	135234354
Reduced:	ClFN5H11C18 (1)
Stoich.:	ABC5D11E18 (1)
Weight, g/mol:	331.123324
ΔH_f, kcal/mol:	85.28
Dipole, Da:	3.19
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=NC(=N2)N)C3=CC4=C(C=CN=C4C=C3)Cl)F

DOS

IR

Vibrations