Geometry & MOs

Info

ID:

308750

PubChem CID:

126522446

Reduced:

SN7H13C20 (1)

Stoich.:

AB7C13D20 (1)

Weight, g/mol:

534.195029

ΔHf, kcal/mol:

231.03

Dipole, Da:

6.0

IP(EA), eV:

 -8.58(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-piperidin-4-yl-N-[5-[(3E)-3-(4-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CNN=C6)/C=C23

DOS

IR

Vibrations