Geometry & MOs

Info

ID:	150854
PubChem CID:	53790551
Reduced:	NO6C13H23 (1)
Stoich.:	AB6C13D23 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	-306.84
Dipole, Da:	2.05
IP(EA), eV:	-10.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-hydroxy-2,6-dimethyl-4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

[3H][C@](CC(=O)O)(C(=O)OCCCC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations