Geometry & MOs

Info

ID:

432850

PubChem CID:

135172987

Reduced:

ON9H23C26 (1)

Stoich.:

AB9C23D26 (1)

Weight, g/mol:

498.260406

ΔHf, kcal/mol:

171.08

Dipole, Da:

3.74

IP(EA), eV:

 -8.85(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-1-[[5-[(3Z)-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC=CC=N6)/NN3)O

DOS

IR

Vibrations