Geometry & MOs

Info

ID:

423731

PubChem CID:

135120120

Reduced:

O5N6C38H44 (1)

Stoich.:

A5B6C38D44 (1)

Weight, g/mol:

344.173607

ΔHf, kcal/mol:

-141.72

Dipole, Da:

4.68

IP(EA), eV:

 -9.3(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations