Geometry & MOs

Info

ID:	35346
PubChem CID:	7979730
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	333.076786
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	3.15
IP(EA), eV:	-9.22(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(2,4,5-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations