Geometry & MOs

Info

ID:

446198

PubChem CID:

135273073

Reduced:

NH31C40 (2)

Stoich.:

AB31C40 (2)

Weight, g/mol:

431.185844

ΔHf, kcal/mol:

286.6

Dipole, Da:

3.05

IP(EA), eV:

 -8.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-1-[5-[(3Z)-3-(4-pyridin-4-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC5=C4C6=CC=CC=C6C57C8=C(C9=CC=CC=C79)C(=CC=C8)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C2(C)C)C1=CC=CC=C1CC

DOS

IR

Vibrations