Geometry & MOs

Info

ID:	17359
PubChem CID:	494081
Reduced:	NPO3H21C26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	426.125906
ΔH_f, kcal/mol:	71.15
Dipole, Da:	8.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957731
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-nitrophenyl)-2-oxoethyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations