Geometry & MOs

Info

ID:	367052
PubChem CID:	127323035
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	4.06
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)N2CCN(CC2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations