Geometry & MOs

Info

ID:

444109

PubChem CID:

135261339

Reduced:

FO2N8H31C33 (1)

Stoich.:

AB2C8D31E33 (1)

Weight, g/mol:

619.28195

ΔHf, kcal/mol:

66.74

Dipole, Da:

2.57

IP(EA), eV:

 -8.68(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations