Geometry & MOs

Info

ID:	399698
PubChem CID:	135041875
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	2.66
IP(EA), eV:	-10.01(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl acetate

Drug info:

PubChemData

Smile

C[C@]12C[C@H]3C[C@@H]([C@]1(CCCC2=O)CC3=O)C(=O)OC

DOS

IR

Vibrations