Geometry & MOs

Info

ID:

421325

PubChem CID:

135115785

Reduced:

O6N7C36H47 (1)

Stoich.:

A6B7C36D47 (1)

Weight, g/mol:

316.153541

ΔHf, kcal/mol:

-189.92

Dipole, Da:

8.56

IP(EA), eV:

 -8.94(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=C4C(=CC=C3)N=CC=N4

DOS

IR

Vibrations