Geometry & MOs

Info

ID:

447902

PubChem CID:

135286679

Reduced:

N8H16C23 (1)

Stoich.:

A8B16C23 (1)

Weight, g/mol:

506.197886

ΔHf, kcal/mol:

225.29

Dipole, Da:

8.32

IP(EA), eV:

 -8.86(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3E)-3-[4-(3-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations