Geometry & MOs

Info

ID:	201756
PubChem CID:	79576990
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-28.54
Dipole, Da:	2.93
IP(EA), eV:	-8.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)CCC3CCCC3=O

DOS

IR

Vibrations