Geometry & MOs

Info

ID:	194553
PubChem CID:	78554705
Reduced:	Cl2N2O5H12C17 (1)
Stoich.:	A2B2C5D12E17 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	3.88
IP(EA), eV:	-9.53(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations