Geometry & MOs

Info

ID:	324477
PubChem CID:	126677737
Reduced:	ON7H13C18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	345.133808
ΔH_f, kcal/mol:	158.79
Dipole, Da:	0.83
IP(EA), eV:	-9.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methanimidoylpyridin-4-yl)-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)N4C5=C(C=NC=C5)C=N4

DOS

IR

Vibrations