Geometry & MOs

Info

ID:	55274
PubChem CID:	17389988
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	260.066029
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	1.82
IP(EA), eV:	-8.98(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,5-dimethoxyphenyl)-1,1,1-trifluorobut-3-en-2-one

Drug info:

PubChemData

Smile

C1CN(CC1CN)CC2=CC=CO2

DOS

IR

Vibrations