Geometry & MOs

Info

ID:	406944
PubChem CID:	135078961
Reduced:	NO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	2.11
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methoxy-4-methyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC=C1C2=CC3=C(C=C2)OCO3)C#CC4=CC=CC=C4

DOS

IR

Vibrations