Geometry & MOs

Info

ID:

448241

PubChem CID:

135289548

Reduced:

FSN8H21C26 (1)

Stoich.:

ABC8D21E26 (1)

Weight, g/mol:

604.282284

ΔHf, kcal/mol:

187.77

Dipole, Da:

9.86

IP(EA), eV:

 -8.59(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)F

DOS

IR

Vibrations