Geometry & MOs

Info

ID:	12612
PubChem CID:	141790
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	2.75
IP(EA), eV:	-9.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,4-dimethylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations