Geometry & MOs

Info

ID:	80976
PubChem CID:	49854183
Reduced:	N3O4C41H55 (1)
Stoich.:	A3B4C41D55 (1)
Weight, g/mol:	281.246713
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	5.8
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclopentylpropyl)-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCN1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations