Geometry & MOs

Info

ID:	364252
PubChem CID:	127314556
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	346.203862
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	6.75
IP(EA), eV:	-8.66(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]sulfonylpiperazine

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CC4CC3C=C4

DOS

IR

Vibrations