Geometry & MOs

Info

ID:

308831

PubChem CID:

126522852

Reduced:

FO2N7H34C36 (1)

Stoich.:

AB2C7D34E36 (1)

Weight, g/mol:

493.259009

ΔHf, kcal/mol:

66.3

Dipole, Da:

7.5

IP(EA), eV:

 -8.45(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CC=NC4=N/C(=C/5\C6=C(C=CC(=C6)C7=CC(=CN=C7)NC(=O)C8CCC8)NN5)/C=C34)F

DOS

IR

Vibrations