Geometry & MOs

Info

ID:

311266

PubChem CID:

126590103

Reduced:

FN2O3C35H45 (1)

Stoich.:

AB2C3D35E45 (1)

Weight, g/mol:

613.367971

ΔHf, kcal/mol:

-129.68

Dipole, Da:

5.17

IP(EA), eV:

 -8.46(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(7-azaspiro[3.5]nonan-7-yl)-6-[(cyclohexylmethylamino)methyl]-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC3(CCC3)CC2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)COCCOCC)C

DOS

IR

Vibrations