Geometry & MOs

Info

ID:

206844

PubChem CID:

80308960

Reduced:

NO2C9H15 (1)

Stoich.:

AB2C9D15 (1)

Weight, g/mol:

237.139865

ΔHf, kcal/mol:

-51.74

Dipole, Da:

4.4

IP(EA), eV:

-9.98(0.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)butane-1-sulfonamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C#C

DOS

IR

Vibrations