Geometry & MOs

Info

ID:	369816
PubChem CID:	127335967
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	332.176979
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	7.55
IP(EA), eV:	-9.26(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylmethyl)-4-(oxolan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2CCS(=O)(=O)C(C2C)C

DOS

IR

Vibrations