Geometry & MOs

Info

ID:

184982

PubChem CID:

77236606

Reduced:

N3O7C28H43 (1)

Stoich.:

A3B7C28D43 (1)

Weight, g/mol:

515.299536

ΔHf, kcal/mol:

-324.38

Dipole, Da:

3.95

IP(EA), eV:

 -9.39(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl-(cyclohexylmethyl)amino]-2-hydroxy-3-oxopropyl] 2-hydroxyacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CCN2C3CCC2CC(C3)C4=CC(=CC=C4)C(=O)N)C(=O)C(CO)O.C(C(=O)O)O

DOS

IR

Vibrations