Geometry & MOs

Info

ID:	437935
PubChem CID:	135227330
Reduced:	ON4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	228.037369
ΔH_f, kcal/mol:	-25.32
Dipole, Da:	4.96
IP(EA), eV:	-8.38(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-methyl-2-(1,1,2,2,2-pentafluoroethyl)benzene

Drug info:

PubChemData

Smile

CC(=O)CCC/C(=C/C(=NC)CCCC1=NC2=C(CCCN2)C=C1)/N

DOS

IR

Vibrations