Geometry & MOs

Info

ID:	238652
PubChem CID:	92764879
Reduced:	FN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	3.63
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-benzyl-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CN3CCN([C@H](C3)CCO)CC4=CC=C(C=C4)F

DOS

IR

Vibrations