Geometry & MOs

Info

ID:	441381
PubChem CID:	135234442
Reduced:	N5H15C19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	331.123324
ΔH_f, kcal/mol:	132.3
Dipole, Da:	5.52
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NC=C1)C3=C(N=C(N=N3)N)C4=CC=CC=C4

DOS

IR

Vibrations