Geometry & MOs

Info

ID:	350266
PubChem CID:	127277344
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	360.183127
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	8.24
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations