Geometry & MOs

Info

ID:	129650
PubChem CID:	51073467
Reduced:	FSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

DOS

IR

Vibrations