Geometry & MOs

Info

ID:	34110
PubChem CID:	7889859
Reduced:	N4O6H14C19 (1)
Stoich.:	A4B6C14D19 (1)
Weight, g/mol:	335.05605
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	7.77
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-])N2

DOS

IR

Vibrations