Geometry & MOs

Info

ID:	5458
PubChem CID:	13182
Reduced:	ClC2H2 (2)
Stoich.:	AB2C2 (2)
Weight, g/mol:	121.969005
ΔH_f, kcal/mol:	26.97
Dipole, Da:	0.81
IP(EA), eV:	-10.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichlorobut-2-yne

Drug info:

PubChemData

Smile

C(C#CCCl)Cl

DOS

IR

Vibrations