Geometry & MOs

Info

ID:

448228

PubChem CID:

135289444

Reduced:

ON8H30C32 (1)

Stoich.:

AB8C30D32 (1)

Weight, g/mol:

546.212787

ΔHf, kcal/mol:

151.41

Dipole, Da:

8.93

IP(EA), eV:

 -7.86(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-7-(1,3-benzodioxol-5-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/C=C32

DOS

IR

Vibrations