Geometry & MOs

Info

ID:

310089

PubChem CID:

126574144

Reduced:

BrFN2O4C38H48 (1)

Stoich.:

ABC2D4E38F48 (1)

Weight, g/mol:

480.19876

ΔHf, kcal/mol:

-194.32

Dipole, Da:

1.88

IP(EA), eV:

 -8.32(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(2-azaspiro[4.4]nonan-2-yl)-5-bromo-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CBr)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CCC5)CC4)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations