Geometry & MOs

Info

ID:	24197
PubChem CID:	608412
Reduced:	NPO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	309.091866
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	0.92
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diphenylphosphorylmethyl)-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(CC2=CC=[N+](C=C2)[O-])C3=CC=CC=C3

DOS

IR

Vibrations