Geometry & MOs

Info

ID:	6404
PubChem CID:	68535
Reduced:	OC2H2 (2)
Stoich.:	AB2C2 (2)
Weight, g/mol:	84.021129
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	6.62
IP(EA), eV:	-11.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-ynoic acid

Drug info:

PubChemData

Smile

CC#CC(=O)O

DOS

IR

Vibrations