Geometry & MOs

Info

ID:	364952
PubChem CID:	127316602
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	2.98
IP(EA), eV:	-8.86(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations