Geometry & MOs

Info

ID:

447926

PubChem CID:

135286886

Reduced:

SN7H27C29 (1)

Stoich.:

AB7C27D29 (1)

Weight, g/mol:

503.223372

ΔHf, kcal/mol:

203.14

Dipole, Da:

5.38

IP(EA), eV:

 -8.79(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CSC=C7)/NN4

DOS

IR

Vibrations