Geometry & MOs

Info

ID:	4865
PubChem CID:	12189
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	5.09
IP(EA), eV:	-10.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enoyl but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OC(=O)C=CC

DOS

IR

Vibrations