Geometry & MOs

Info

ID:	139930
PubChem CID:	52619178
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	7.69
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methyl-3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(=O)N(C2CCCCC2)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations