Geometry & MOs

Info

ID:	124429
PubChem CID:	50883035
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	3.53
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-methoxy-3,6-dimethylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1C)Cl)C)OC

DOS

IR

Vibrations