Geometry & MOs

Info

ID:

447925

PubChem CID:

135286874

Reduced:

ON8H20C30 (1)

Stoich.:

AB8C20D30 (1)

Weight, g/mol:

505.204865

ΔHf, kcal/mol:

212.56

Dipole, Da:

8.58

IP(EA), eV:

 -8.9(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CN=CC=C7)/NN4

DOS

IR

Vibrations