Geometry & MOs

Info

ID:	71438
PubChem CID:	48414859
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	3.9
IP(EA), eV:	-8.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-(3-methylphenoxy)butan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations