Geometry & MOs

Info

ID:	226894
PubChem CID:	87558840
Reduced:	N2O7C20H22 (1)
Stoich.:	A2B7C20D22 (1)
Weight, g/mol:	399.806166
ΔH_f, kcal/mol:	-269.55
Dipole, Da:	6.15
IP(EA), eV:	-9.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;4,4,4-trichlorobut-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N(C2=CC(=O)OC3=C2C=CC(=C3)OC)C(=O)C

DOS

IR

Vibrations