Geometry & MOs

Info

ID:	153146
PubChem CID:	56312292
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	7.67
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

DOS

IR

Vibrations