Geometry & MOs

Info

ID:

444087

PubChem CID:

135261299

Reduced:

FO2N8C33H33 (1)

Stoich.:

AB2C8D33E33 (1)

Weight, g/mol:

493.202637

ΔHf, kcal/mol:

59.64

Dipole, Da:

5.75

IP(EA), eV:

 -8.73(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations