Geometry & MOs

Info

ID:	235368
PubChem CID:	92309655
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	4.29
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=CC=CC3=C2C(=O)N(C3)C[C@@H]4CCCO4

DOS

IR

Vibrations