Geometry & MOs

Info

ID:

432865

PubChem CID:

135173002

Reduced:

FON10C26H29 (1)

Stoich.:

ABC10D26E29 (1)

Weight, g/mol:

487.224435

ΔHf, kcal/mol:

101.69

Dipole, Da:

8.72

IP(EA), eV:

 -7.93(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)N6CCN(CC6)C)/NN3)O

DOS

IR

Vibrations