Geometry & MOs

Info

ID:	377062
PubChem CID:	134223098
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	2.74
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC3=C2CCCO3)N

DOS

IR

Vibrations