Geometry & MOs

Info

ID:

443888

PubChem CID:

135260297

Reduced:

SO2N7H25C28 (1)

Stoich.:

AB2C7D25E28 (1)

Weight, g/mol:

503.223372

ΔHf, kcal/mol:

144.69

Dipole, Da:

5.58

IP(EA), eV:

 -8.7(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)OCCN(C)C)NN4)/C=C32

DOS

IR

Vibrations