Geometry & MOs

Info

ID:

11164

PubChem CID:

111543

Reduced:

NSO4C13H20 (1)

Stoich.:

ABC4D13E20 (1)

Weight, g/mol:

286.111304

ΔHf, kcal/mol:

-86.48

Dipole, Da:

7.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.822056

Charge, e:

 -1

Chem-info

IUPAC name:

4-ethylmorpholine;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCN1CCOCC1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations