Geometry & MOs

Info

ID:

447962

PubChem CID:

135287157

Reduced:

ON10H26C27 (1)

Stoich.:

AB10C26D27 (1)

Weight, g/mol:

546.212787

ΔHf, kcal/mol:

166.35

Dipole, Da:

11.31

IP(EA), eV:

 -8.41(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(1,3-benzodioxol-5-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)NN4)/N=C23

DOS

IR

Vibrations