Geometry & MOs

Info

ID:	124431
PubChem CID:	50883150
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	2.08
IP(EA), eV:	-8.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methoxy-3,4-dimethyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=C1OC)C)C)Cl

DOS

IR

Vibrations