Geometry & MOs

Info

ID:	144939
PubChem CID:	53434414
Reduced:	FO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	283.98238
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	2.96
IP(EA), eV:	-8.77(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopropyl)-2-fluoro-1-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCO)OCCCF

DOS

IR

Vibrations