Geometry & MOs

Info

ID:	22121
PubChem CID:	596037
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-188.05
Dipole, Da:	2.77
IP(EA), eV:	-10.4(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxy-4-oxobutanoyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations