Geometry & MOs

Info

ID:

166479

PubChem CID:

74697611

Reduced:

NO4H14C18 (1)

Stoich.:

AB4C14D18 (1)

Weight, g/mol:

353.232799

ΔHf, kcal/mol:

-64.64

Dipole, Da:

4.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772158

Charge, e:

 -1

Chem-info

IUPAC name:

7-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=N3)OC2=O)[O-]

DOS

IR

Vibrations