Geometry & MOs

Info

ID:

436525

PubChem CID:

135204933

Reduced:

N3F4O5H25C30 (1)

Stoich.:

A3B4C5D25E30 (1)

Weight, g/mol:

506.2554

ΔHf, kcal/mol:

-326.99

Dipole, Da:

6.69

IP(EA), eV:

 -9.76(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[4-[3-(4-aminopiperidin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2CO[C@@]3(C2=O)C(=O)CC4=C3C=CC(=C4)C5=CC=CC=C5C(=O)N

DOS

IR

Vibrations