Geometry & MOs

Info

ID:

321801

PubChem CID:

126666998

Reduced:

FON3C10H11 (2)

Stoich.:

ABC3D10E11 (2)

Weight, g/mol:

416.140845

ΔHf, kcal/mol:

-90.52

Dipole, Da:

9.6

IP(EA), eV:

 -8.89(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-4-[[(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)F)F)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CCC[C@H]4O

DOS

IR

Vibrations