Geometry & MOs

Info

ID:	226638
PubChem CID:	87550948
Reduced:	OH12C16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	434.89426
ΔH_f, kcal/mol:	38.62
Dipole, Da:	2.71
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)-1-iodopropyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53)C6=CC(=CC=C6)OC

DOS

IR

Vibrations