Geometry & MOs

Info

ID:

308889

PubChem CID:

126531781

Reduced:

N4H7C11 (2)

Stoich.:

A4B7C11 (2)

Weight, g/mol:

489.227709

ΔHf, kcal/mol:

248.79

Dipole, Da:

5.1

IP(EA), eV:

 -8.49(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3E)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=CC=N6

DOS

IR

Vibrations