Geometry & MOs

Info

ID:

447978

PubChem CID:

135287301

Reduced:

ON8C29H32 (1)

Stoich.:

AB8C29D32 (1)

Weight, g/mol:

528.148078

ΔHf, kcal/mol:

137.64

Dipole, Da:

5.99

IP(EA), eV:

 -8.35(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-[5-[(3Z)-3-(7-thiophen-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN7CCCC7)/C=C23

DOS

IR

Vibrations