Geometry & MOs

Info

ID:

415240

PubChem CID:

135088232

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

364.191756

ΔHf, kcal/mol:

-201.07

Dipole, Da:

4.64

IP(EA), eV:

 -9.5(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations