Geometry & MOs

Info

ID:	365809
PubChem CID:	127318534
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	3.7
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations