Geometry & MOs

Info

ID:	71447
PubChem CID:	48414882
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	5.46
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations