Geometry & MOs

Info

ID:	71418
PubChem CID:	48414832
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	2.23
IP(EA), eV:	-8.93(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-cyclohexylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)OC2=CC=CC=C2

DOS

IR

Vibrations