Geometry & MOs

Info

ID:

141875

PubChem CID:

52943603

Reduced:

FN6O8C38H51 (1)

Stoich.:

AB6C8D38E51 (1)

Weight, g/mol:

362.199428

ΔHf, kcal/mol:

-391.45

Dipole, Da:

8.97

IP(EA), eV:

 -9.41(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(1S,5R)-8-(1-phenylcyclopropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

Drug info:

PubChemData

Smile

CCCC/C=C/C(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)N[C@@H]2COC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C

DOS

IR

Vibrations