Geometry & MOs

Info

ID:

441398

PubChem CID:

135234487

Reduced:

FON8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

477.202556

ΔHf, kcal/mol:

109.79

Dipole, Da:

2.69

IP(EA), eV:

 -8.72(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-(7-pyridin-4-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\N=C5C(=CC=NC5=N4)C6=CC(=CC=C6)F)/NN3)O

DOS

IR

Vibrations