Geometry & MOs

Info

ID:	22306
PubChem CID:	596570
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	5.22
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-formyl-2-methoxyphenyl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC(=C1)C=O)OC

DOS

IR

Vibrations