Geometry & MOs

Info

ID:	263177
PubChem CID:	103343581
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	2.82
IP(EA), eV:	-10.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-3-[(3-methoxyphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC#CCC1(CCOC1=O)C(=O)C

DOS

IR

Vibrations