Geometry & MOs

Info

ID:

187792

PubChem CID:

77624365

Reduced:

N2F3O4C34H39 (1)

Stoich.:

A2B3C4D34E39 (1)

Weight, g/mol:

564.176947

ΔHf, kcal/mol:

-253.15

Dipole, Da:

7.87

IP(EA), eV:

 -8.97(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxy-3-[4-[2-[[3-[[3-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]ethoxy]phenyl]propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC(CC2=CC=C(C=C2)OCCNC3C4C3CN(C4)CC5=CC=C(C=C5)C(F)(F)F)C(=O)O

DOS

IR

Vibrations