Geometry & MOs

Info

ID:	38902
PubChem CID:	8138136
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC)C

DOS

IR

Vibrations