Geometry & MOs

Info

ID:	149141
PubChem CID:	53788813
Reduced:	ClNSO6H10C13 (1)
Stoich.:	ABCD6E10F13 (1)
Weight, g/mol:	261.061278
ΔH_f, kcal/mol:	-148.44
Dipole, Da:	5.8
IP(EA), eV:	-10.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-5-(4-nitrophenyl)pent-4-en-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=NO1)OC(=O)C2=CC=CC=C2)C(=O)Cl

DOS

IR

Vibrations