Geometry & MOs

Info

ID:	5711
PubChem CID:	13536
Reduced:	OC2H2 (2)
Stoich.:	AB2C2 (2)
Weight, g/mol:	84.021129
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	1.97
IP(EA), eV:	-11.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl prop-2-ynoate

Drug info:

PubChemData

Smile

COC(=O)C#C

DOS

IR

Vibrations