Geometry & MOs

Info

ID:	45493
PubChem CID:	10514169
Reduced:	ClNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	240.076199
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	3.62
IP(EA), eV:	-9.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1,1,1-trifluoro-6-(4-methylphenyl)hexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

C1C(ONC1=O)CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations