Geometry & MOs

Info

ID:	10045
PubChem CID:	96574
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	1.69
IP(EA), eV:	-9.29(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=CC(=C1)C

DOS

IR

Vibrations