Geometry & MOs

Info

ID:

381615

PubChem CID:

134972404

Reduced:

CuC2H6 (1)

Stoich.:

AB2C6 (1)

Weight, g/mol:

142.081622

ΔHf, kcal/mol:

86.86

Dipole, Da:

1.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.788376

Charge, e:

 0

Chem-info

IUPAC name:

1-ethylsulfanylhex-3-yne

Drug info:

PubChemData

Smile

[CH3-].[CH3-].[Cu+]

DOS

IR

Vibrations