Geometry & MOs

Info

ID:	197168
PubChem CID:	78931308
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	1.07
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC(=C)Cl)OC)O

DOS

IR

Vibrations