Geometry & MOs

Info

ID:	365323
PubChem CID:	127317707
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	8.87
IP(EA), eV:	-8.55(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclobutylpiperazin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CN2CCN(CC2)C3CCC3

DOS

IR

Vibrations