Geometry & MOs

Info

ID:

447927

PubChem CID:

135286893

Reduced:

FN7H26C30 (1)

Stoich.:

AB7C26D30 (1)

Weight, g/mol:

618.286701

ΔHf, kcal/mol:

153.99

Dipole, Da:

3.2

IP(EA), eV:

 -8.84(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations