Geometry & MOs

Info

ID:

320912

PubChem CID:

126664234

Reduced:

BrFN3O3C23H25 (1)

Stoich.:

ABC3D3E23F25 (1)

Weight, g/mol:

529.30529

ΔHf, kcal/mol:

-94.7

Dipole, Da:

7.13

IP(EA), eV:

 -8.7(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CC(=O)N(C1)[C@H](C)C2=CC=C(C=C2)OC)OC3=CC(=CC4=NN(C(=C34)F)C)Br

DOS

IR

Vibrations