Geometry & MOs

Info

ID:	228229
PubChem CID:	87563701
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	504.213575
ΔH_f, kcal/mol:	35.2
Dipole, Da:	5.32
IP(EA), eV:	-10.28(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-diphenylphosphanyl-2-pentan-3-ylcyclopenta-1,4-dien-1-yl)-diphenylphosphane

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CC=N

DOS

IR

Vibrations