Geometry & MOs

Info

ID:	150598
PubChem CID:	53790291
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	408.090405
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	5.43
IP(EA), eV:	-8.41(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-chlorophenyl)-4,4,4-trifluorobutyl]-1-fluoro-2-phenoxybenzene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CC3CN(C(=O)C3C24CCN(CC4)C)C

DOS

IR

Vibrations