Geometry & MOs

Info

ID:	367883
PubChem CID:	127326036
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	1.96
IP(EA), eV:	-8.72(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-3-ylsulfonylpiperazine

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations