Geometry & MOs

Info

ID:

308748

PubChem CID:

126522444

Reduced:

N3H5C7 (3)

Stoich.:

A3B5C7 (3)

Weight, g/mol:

631.318335

ΔHf, kcal/mol:

240.8

Dipole, Da:

3.01

IP(EA), eV:

 -8.87(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=NC=CN=C6)/C=C23

DOS

IR

Vibrations