Geometry & MOs

Info

ID:	52355
PubChem CID:	12015195
Reduced:	NO5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	300.990863
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	2.15
IP(EA), eV:	-10.47(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)ethyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations