Geometry & MOs

Info

ID:

444172

PubChem CID:

135261566

Reduced:

ON6H22C31 (1)

Stoich.:

AB6C22D31 (1)

Weight, g/mol:

533.19978

ΔHf, kcal/mol:

202.8

Dipole, Da:

4.73

IP(EA), eV:

 -8.39(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CC=CC=N7)N=C3

DOS

IR

Vibrations