Geometry & MOs

Info

ID:	2609
PubChem CID:	8066
Reduced:	OC2H3 (2)
Stoich.:	AB2C3 (2)
Weight, g/mol:	86.036779
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	0.27
IP(EA), eV:	-10.73(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-yne-1,4-diol

Drug info:

PubChemData

Smile

C(C#CCO)O

DOS

IR

Vibrations