Geometry & MOs

Info

ID:	193593
PubChem CID:	78411213
Reduced:	NC5O6H7 (3)
Stoich.:	AB5C6D7 (3)
Weight, g/mol:	264.018936
ΔH_f, kcal/mol:	-550.27
Dipole, Da:	6.74
IP(EA), eV:	-11.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chlorophenyl)prop-2-enoyl]oxolane-2,4-dione

Drug info:

PubChemData

Smile

C(C(C(C1C(C(C(C(O1)(C(CC(=O)O)[N+](=O)[O-])O)(C(CC(=O)O)[N+](=O)[O-])O)O)O)O)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations