Geometry & MOs

Info

ID:

310080

PubChem CID:

126573977

Reduced:

N2O3C16H28 (1)

Stoich.:

A2B3C16D28 (1)

Weight, g/mol:

632.362551

ΔHf, kcal/mol:

-139.75

Dipole, Da:

3.26

IP(EA), eV:

 -8.82(0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-1-oxidopyridin-1-ium-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CN3CCOCC3

DOS

IR

Vibrations