Geometry & MOs

Info

ID:	46379
PubChem CID:	10524151
Reduced:	NS2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(3-aminophenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Drug info:

PubChemData

Smile

C=CCS[C@@H]1[C@H]2CC3=CC=CC=C3N2C(=O)[C@H]1S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations