Geometry & MOs

Info

ID:	345999
PubChem CID:	127270316
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	372.219512
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	4.45
IP(EA), eV:	-9.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations