Geometry & MOs

Info

ID:	45472
PubChem CID:	10513967
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-154.83
Dipole, Da:	2.45
IP(EA), eV:	-8.63(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetyl-4-methoxyphenyl)ethyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC2=C(O1)C=C(C=C2)OC

DOS

IR

Vibrations