Geometry & MOs

Info

ID:	411544
PubChem CID:	135084376
Reduced:	NOC6H8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	249.050298
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.896606
Charge, e:	1

Chem-info

IUPAC name:

oxo-propan-2-yl-(2-thiophen-3-ylphenyl)phosphanium

Drug info:

PubChemData

Smile

C[N+]1=CC=CCC1=O

DOS

IR

Vibrations