Geometry & MOs

Info

ID:	337029
PubChem CID:	127256594
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	4.93
IP(EA), eV:	-8.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxoheptan-3-yl 2-isoindol-2-ylacetate

Drug info:

PubChemData

Smile

C1C=CC(=O)CC1C(=O)OC(=O)CN2C=C3C=CC=CC3=C2

DOS

IR

Vibrations