Geometry & MOs

Info

ID:	30266
PubChem CID:	841060
Reduced:	ON5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	91.51
Dipole, Da:	3.34
IP(EA), eV:	-9.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2N[C@@H]3[C@@H](N2)NON3

DOS

IR

Vibrations