Geometry & MOs

Info

ID:	235361
PubChem CID:	92309629
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	414.05791
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	6.62
IP(EA), eV:	-8.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations