Geometry & MOs

Info

ID:	441366
PubChem CID:	135234348
Reduced:	N4H16C19 (1)
Stoich.:	A4B16C19 (1)
Weight, g/mol:	351.068701
ΔH_f, kcal/mol:	132.82
Dipole, Da:	4.65
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/C(=N)N)/C(=N)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations