Geometry & MOs

Info

ID:	441376
PubChem CID:	135234428
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	313.132746
ΔH_f, kcal/mol:	83.88
Dipole, Da:	5.83
IP(EA), eV:	-9.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)CC2=CN=NC=C2

DOS

IR

Vibrations