Geometry & MOs

Info

ID:

443901

PubChem CID:

135260330

Reduced:

ON7H23C24 (1)

Stoich.:

AB7C23D24 (1)

Weight, g/mol:

505.233857

ΔHf, kcal/mol:

155.88

Dipole, Da:

9.33

IP(EA), eV:

 -8.65(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C=NC=CC6=N5

DOS

IR

Vibrations