Geometry & MOs

Info

ID:

418617

PubChem CID:

135106245

Reduced:

O7N8C34H38 (1)

Stoich.:

A7B8C34D38 (1)

Weight, g/mol:

399.252192

ΔHf, kcal/mol:

-177.31

Dipole, Da:

8.53

IP(EA), eV:

 -9.18(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-1-(4-methoxyanilino)-N-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C(=O)N[C@@H](C(=O)N1)CC4=CC=C(C=C4)O)N=CC=C3)N=N2)CC5=CC=CC=C5)O

DOS

IR

Vibrations