Geometry & MOs

Info

ID:	171759
PubChem CID:	75423301
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	303.174691
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	6.29
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=NOC(=N1)CN(CC2=CC=CO2)C3=CC=CC=C3

DOS

IR

Vibrations