Geometry & MOs

Info

ID:

321217

PubChem CID:

126665384

Reduced:

ClNOH10C15 (2)

Stoich.:

ABCD10E15 (2)

Weight, g/mol:

406.136508

ΔHf, kcal/mol:

37.44

Dipole, Da:

3.71

IP(EA), eV:

 -8.75(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-4-[[(1S,2S,4R)-4-fluoro-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(=C(C2=C(C1(C3=CC=NC=C3)C4=CC=NC=C4)C=C(C=C2)Cl)C5=C(C=CC6=C5C=CC(=C6)Cl)O)O

DOS

IR

Vibrations