Geometry & MOs

Info

ID:	30071
PubChem CID:	839453
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-53.1
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2O

DOS

IR

Vibrations