Geometry & MOs

Info

ID:	265443
PubChem CID:	103521376
Reduced:	NSO3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-188.07
Dipole, Da:	2.7
IP(EA), eV:	-9.57(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutylsulfonyl)-2,6-dimethylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)N1CCCC1C2CCCCC2O

DOS

IR

Vibrations