Geometry & MOs

Info

ID:

308832

PubChem CID:

126522853

Reduced:

ON7C29H31 (1)

Stoich.:

AB7C29D31 (1)

Weight, g/mol:

504.209616

ΔHf, kcal/mol:

124.08

Dipole, Da:

7.38

IP(EA), eV:

 -8.21(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-4-(5-methylthiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)OC7CCNCC7)NN4)/C=C23

DOS

IR

Vibrations