Geometry & MOs

Info

ID:	235362
PubChem CID:	92309631
Reduced:	BrN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	7.25
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations