Geometry & MOs

Info

ID:	401513
PubChem CID:	135051500
Reduced:	BrNPH21C25 (1)
Stoich.:	ABCD21E25 (1)
Weight, g/mol:	366.141162
ΔH_f, kcal/mol:	59.09
Dipole, Da:	1.69
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-phenyl-(5-phenylbenzo[b]phosphindol-5-ylidene)azanium

Drug info:

PubChemData

Smile

C[N+](=P1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

DOS

IR

Vibrations