Geometry & MOs

Info

ID:	228100
PubChem CID:	87563451
Reduced:	ClON3C8H18 (1)
Stoich.:	ABC3D8E18 (1)
Weight, g/mol:	232.021917
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	4.18
IP(EA), eV:	-9.18(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-3-carboxyprop-2-enoyl]oxybutanedioic acid

Drug info:

PubChemData

Smile

CCN=C=N.CN1CCOCC1.Cl

DOS

IR

Vibrations