Geometry & MOs

Info

ID:	124430
PubChem CID:	50883036
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	3.56
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-methoxy-3,4-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)OC)C)Cl

DOS

IR

Vibrations