Geometry & MOs

Info

ID:	71643
PubChem CID:	48415149
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	304.158706
ΔH_f, kcal/mol:	-34.05
Dipole, Da:	3.27
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations