Geometry & MOs

Info

ID:	235360
PubChem CID:	92309615
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.67
IP(EA), eV:	-8.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)OC3=CC=C(C=C3)Cl)CNCCOC

DOS

IR

Vibrations