Geometry & MOs

Info

ID:	401684
PubChem CID:	135052135
Reduced:	NPO3H20C26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	396.02786
ΔH_f, kcal/mol:	47.36
Dipole, Da:	13.26
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-bromo-1-triphenylphosphaniumylprop-1-en-2-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](/C=C(/C2=CC=C(C=C2)[N+](=O)[O-])\[O-])(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations