Geometry & MOs

Info

ID:	357612
PubChem CID:	127294285
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	3.48
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations