Geometry & MOs

Info

ID:	71584
PubChem CID:	48415075
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	8.25
Dipole, Da:	3.17
IP(EA), eV:	-8.83(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-cyclopentylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCC2

DOS

IR

Vibrations