Geometry & MOs

Info

ID:

320914

PubChem CID:

126664236

Reduced:

O3N5C31H39 (1)

Stoich.:

A3B5C31D39 (1)

Weight, g/mol:

442.177168

ΔHf, kcal/mol:

-42.59

Dipole, Da:

8.31

IP(EA), eV:

 -8.1(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-(6-chloro-2,3-dimethylpyrazolo[4,3-c]pyridin-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)C4CC(=O)N(C4)[C@@H](C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations