Geometry & MOs

Info

ID:	15239
PubChem CID:	434228
Reduced:	NPO3H19C26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	425.118081
ΔH_f, kcal/mol:	76.97
Dipole, Da:	8.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957667
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-4,4-diphenyl-1,4lambda5-benzoxaphosphinine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2(C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations