Geometry & MOs

Info

ID:

310090

PubChem CID:

126574147

Reduced:

BrN2O3C24H37 (1)

Stoich.:

AB2C3D24E37 (1)

Weight, g/mol:

675.368365

ΔHf, kcal/mol:

-168.09

Dipole, Da:

4.88

IP(EA), eV:

 -8.93(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-5-[1-[(2-methylpropan-2-yl)oxy]-2-oxo-2-propan-2-yloxyethyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(C2)CCCC3)C(C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations