Geometry & MOs

Info

ID:	139039
PubChem CID:	52463723
Reduced:	N3O6H21C22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	-125.83
Dipole, Da:	12.73
IP(EA), eV:	-8.88(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxoisoindol-2-yl)propyl 4-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations