Geometry & MOs

Info

ID:

432280

PubChem CID:

135172413

Reduced:

O3N8C28H32 (1)

Stoich.:

A3B8C28D32 (1)

Weight, g/mol:

411.249507

ΔHf, kcal/mol:

16.73

Dipole, Da:

7.09

IP(EA), eV:

 -9.19(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[amino(methyl)amino]-2-[[6-(2-ethoxypyridin-3-yl)-1-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]amino]ethanimidamide

Drug info:

PubChemData

Smile

CN1C(=NC(=C1C(=NC=C)N)C2=CC=C(C=C2)C(=O)NC3=NC=NC=C3)[C@@H]4CCCCN4C(=O)/C=C/COC

DOS

IR

Vibrations