Geometry & MOs

Info

ID:	79811
PubChem CID:	49830548
Reduced:	N6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	321.113822
ΔH_f, kcal/mol:	79.41
Dipole, Da:	1.64
IP(EA), eV:	-8.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-fluorophenyl)-2-N-(1H-indazol-6-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=NC=C2)NC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations