Geometry & MOs

Info

ID:	62284
PubChem CID:	26718911
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	378.174356
ΔH_f, kcal/mol:	29.91
Dipole, Da:	3.85
IP(EA), eV:	-8.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations