Geometry & MOs

Info

ID:	366780
PubChem CID:	127320317
Reduced:	SO3N5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	2.73
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CN=CN3

DOS

IR

Vibrations