Geometry & MOs

Info

ID:

310087

PubChem CID:

126574139

Reduced:

BrN2O3C25H39 (1)

Stoich.:

AB2C3D25E39 (1)

Weight, g/mol:

588.336336

ΔHf, kcal/mol:

-164.57

Dipole, Da:

2.06

IP(EA), eV:

 -8.27(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(7-azaspiro[4.5]decan-7-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(CCCC3)CC2)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations