Geometry & MOs

Info

ID:	401471
PubChem CID:	135051362
Reduced:	BrNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	458.04351
ΔH_f, kcal/mol:	39.28
Dipole, Da:	4.71
IP(EA), eV:	-8.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1,2,3-triphenyl-1H-isophosphindole 2-oxide

Drug info:

PubChemData

Smile

CCC1=CC=CC=[N+]1CC(=C)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations