Geometry & MOs

Info

ID:	11647
PubChem CID:	118492
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	2.2
IP(EA), eV:	-9.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)C)C

DOS

IR

Vibrations