Geometry & MOs

Info

ID:

417697

PubChem CID:

135102510

Reduced:

ClN2O5H11C13 (1)

Stoich.:

AB2C5D11E13 (1)

Weight, g/mol:

421.132382

ΔHf, kcal/mol:

-151.97

Dipole, Da:

7.64

IP(EA), eV:

 -10.46(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC(=CN=C3)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations