Geometry & MOs

Info

ID:	324064
PubChem CID:	126676864
Reduced:	N7H15C19 (1)
Stoich.:	A7B15C19 (1)
Weight, g/mol:	343.154544
ΔH_f, kcal/mol:	171.61
Dipole, Da:	2.17
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methanimidoyl-4-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5

DOS

IR

Vibrations