Geometry & MOs

Info

ID:

321765

PubChem CID:

126666954

Reduced:

O3N6C19H22 (1)

Stoich.:

A3B6C19D22 (1)

Weight, g/mol:

466.157638

ΔHf, kcal/mol:

-33.38

Dipole, Da:

8.08

IP(EA), eV:

 -8.93(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations