Geometry & MOs

Info

ID:	71783
PubChem CID:	48415385
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	64.76
Dipole, Da:	5.48
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-cyclopentyloxyethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations