Geometry & MOs

Info

ID:

448081

PubChem CID:

135288276

Reduced:

ClOSN8H17C24 (1)

Stoich.:

ABCD8E17F24 (1)

Weight, g/mol:

506.200114

ΔHf, kcal/mol:

180.62

Dipole, Da:

4.72

IP(EA), eV:

 -8.68(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3Z)-3-(4-thiophen-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=C(S6)Cl

DOS

IR

Vibrations