Geometry & MOs

Info

ID:	71201
PubChem CID:	48414441
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	2.45
IP(EA), eV:	-8.51(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations