Geometry & MOs

Info

ID:	146571
PubChem CID:	53706634
Reduced:	BrClN2O3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	468.01034
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	2.64
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[4-[3-(4-chlorophenoxy)phenyl]-1,1,1-trifluorobutan-2-yl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)Cl)N2CCC(CC2)C3=NOC4=C3C=CC(=C4)Br

DOS

IR

Vibrations