Geometry & MOs

Info

ID:

443906

PubChem CID:

135260353

Reduced:

NO5H17C20 (1)

Stoich.:

AB5C17D20 (1)

Weight, g/mol:

612.23975

ΔHf, kcal/mol:

-148.9

Dipole, Da:

8.31

IP(EA), eV:

 -9.37(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=C2C3=C(C=C(C=C3)C(=O)O)N(C2=O)C(=O)C

DOS

IR

Vibrations