Geometry & MOs

Info

ID:

320913

PubChem CID:

126664235

Reduced:

O3N5C31H39 (1)

Stoich.:

A3B5C31D39 (1)

Weight, g/mol:

529.30529

ΔHf, kcal/mol:

-43.26

Dipole, Da:

2.0

IP(EA), eV:

 -8.13(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC1=C2C(=CC(=CC2=NN1C)C3=CN(N=C3)C(C)(C)C)O[C@H](C)[C@@H]4CC(=O)N(C4)[C@@H](C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations