Geometry & MOs

Info

ID:

308957

PubChem CID:

126532621

Reduced:

FON8H27C31 (1)

Stoich.:

ABC8D27E31 (1)

Weight, g/mol:

466.234191

ΔHf, kcal/mol:

114.06

Dipole, Da:

4.02

IP(EA), eV:

 -8.73(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F

DOS

IR

Vibrations