Geometry & MOs

Info

ID:

447987

PubChem CID:

135287336

Reduced:

FO2N7H24C29 (1)

Stoich.:

AB2C7D24E29 (1)

Weight, g/mol:

492.238608

ΔHf, kcal/mol:

72.24

Dipole, Da:

5.91

IP(EA), eV:

 -8.89(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC(=CC(=C7)F)O)N=C3

DOS

IR

Vibrations