Geometry & MOs

Info

ID:	237959
PubChem CID:	92723121
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-92.39
Dipole, Da:	3.68
IP(EA), eV:	-8.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-3-(4-ethylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)NC2=CC3=C(C=C2)OCCO3)N4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations