Geometry & MOs

Info

ID:	285591
PubChem CID:	104115161
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C2=NC(=CO2)C(=O)OCC)CC)N

DOS

IR

Vibrations