Geometry & MOs

Info

ID:	71310
PubChem CID:	48414603
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.6
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations