Geometry & MOs

Info

ID:	9514
PubChem CID:	90470
Reduced:	OC3H4 (2)
Stoich.:	AB3C4 (2)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	3.25
IP(EA), eV:	-11.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl pent-2-ynoate

Drug info:

PubChemData

Smile

CCC#CC(=O)OC

DOS

IR

Vibrations