Geometry & MOs

Info

ID:	237951
PubChem CID:	92723011
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	3.23
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COCCNC(=O)C[C@@H](C1=CC(=C(C=C1)OC)OC)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations