Geometry & MOs

Info

ID:	382717
PubChem CID:	134974036
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	314.037763
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	4.17
IP(EA), eV:	-8.82(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[2-methoxy-5-methyl-3-(2,2,2-trifluoroacetyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCC#CC(C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations