Geometry & MOs

Info

ID:	365465
PubChem CID:	127317884
Reduced:	ON6C21H34 (1)
Stoich.:	AB6C21D34 (1)
Weight, g/mol:	337.247775
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	5.23
IP(EA), eV:	-8.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations