Geometry & MOs

Info

ID:	3750
PubChem CID:	10110
Reduced:	H2O2C3 (1)
Stoich.:	A2B2C3 (1)
Weight, g/mol:	70.005479
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	4.97
IP(EA), eV:	-11.55(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynoic acid

Drug info:

PubChemData

Smile

C#CC(=O)O

DOS

IR

Vibrations