Geometry & MOs

Info

ID:

444127

PubChem CID:

135261422

Reduced:

OSN8H22C26 (1)

Stoich.:

ABC8D22E26 (1)

Weight, g/mol:

523.249587

ΔHf, kcal/mol:

177.98

Dipole, Da:

10.9

IP(EA), eV:

 -8.52(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations