Geometry & MOs

Info

ID:	337164
PubChem CID:	127256729
Reduced:	FCl3H6C12 (1)
Stoich.:	AB3C6D12 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-23.54
Dipole, Da:	1.74
IP(EA), eV:	-9.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-nitroso-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C=C2Cl)Cl)F)Cl

DOS

IR

Vibrations