Geometry & MOs

Info

ID:	441380
PubChem CID:	135234441
Reduced:	FN3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	313.132746
ΔH_f, kcal/mol:	8.36
Dipole, Da:	4.54
IP(EA), eV:	-8.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NC=N1)/C(=C(\C3=C(C=C(C=C3)F)F)/N=C(N)N)/N

DOS

IR

Vibrations