Geometry & MOs

Info

ID:

308898

PubChem CID:

126531815

Reduced:

FON9H24C27 (1)

Stoich.:

ABC9D24E27 (1)

Weight, g/mol:

525.265237

ΔHf, kcal/mol:

148.21

Dipole, Da:

13.01

IP(EA), eV:

 -8.58(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-5-piperidin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CNN=C7)NN5)/N=C43)F

DOS

IR

Vibrations