Geometry & MOs

Info

ID:	366757
PubChem CID:	127320286
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	-139.28
Dipole, Da:	5.4
IP(EA), eV:	-9.61(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2CCOC2

DOS

IR

Vibrations