Geometry & MOs

Info

ID:	151212
PubChem CID:	53790912
Reduced:	OC5H8 (6)
Stoich.:	AB5C8 (6)
Weight, g/mol:	203.034921
ΔH_f, kcal/mol:	-278.07
Dipole, Da:	3.86
IP(EA), eV:	-9.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(chloromethyl)-5-methyl-1,3-oxazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCO[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3(C2=CC(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)O)O)C

DOS

IR

Vibrations