Geometry & MOs

Info

ID:	11218
PubChem CID:	112033
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	3.66
IP(EA), eV:	-9.96(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1(C(O1)CCC(C)(C=C)OC(=O)C)C

DOS

IR

Vibrations