Geometry & MOs

Info

ID:	403655
PubChem CID:	135061215
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	4.95
IP(EA), eV:	-9.46(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5Z)-3-but-2-ynyl-5-ethylidene-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C\1/CC(C(=O)O1)CC#CC

DOS

IR

Vibrations