Geometry & MOs

Info

ID:	235365
PubChem CID:	92309647
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	4.65
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC3=C2C(=O)N(C3)C[C@@H]4CCCO4

DOS

IR

Vibrations