Geometry & MOs

Info

ID:	414937
PubChem CID:	135087917
Reduced:	ClNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-154.51
Dipole, Da:	3.66
IP(EA), eV:	-9.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=CC(=C(C=C2)Cl)C)CO

DOS

IR

Vibrations