Geometry & MOs

Info

ID:

49446

PubChem CID:

11533034

Reduced:

O4N6C25H28 (1)

Stoich.:

A4B6C25D28 (1)

Weight, g/mol:

476.231122

ΔHf, kcal/mol:

-53.53

Dipole, Da:

5.37

IP(EA), eV:

 -8.5(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[2-(1,3-benzodioxol-5-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2[C@@H](O[C@@H]([C@H]2OCC3=CC=CC=C3)CO)CN4C=NC5=C(N=C(N=C54)N)N

DOS

IR

Vibrations