Geometry & MOs

Info

ID:	324284
PubChem CID:	126677315
Reduced:	N3O4C33H35 (1)
Stoich.:	A3B4C33D35 (1)
Weight, g/mol:	342.122909
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	1.9
IP(EA), eV:	-9.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxypyridin-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C2=C1CCN(C2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations