Geometry & MOs

Info

ID:

443886

PubChem CID:

135260294

Reduced:

O2N7H25C28 (1)

Stoich.:

A2B7C25D28 (1)

Weight, g/mol:

507.158978

ΔHf, kcal/mol:

147.18

Dipole, Da:

9.18

IP(EA), eV:

 -8.57(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=COC=C7

DOS

IR

Vibrations