Geometry & MOs

Info

ID:	71473
PubChem CID:	48414930
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	31.43
Dipole, Da:	3.97
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations