Geometry & MOs

Info

ID:	397934
PubChem CID:	135031056
Reduced:	ClNO4H8C15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	328.101702
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	4.45
IP(EA), eV:	-9.58(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diphenylphosphorylazulene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=CC(=C3)Cl)OC2=O)[N+](=O)[O-]

DOS

IR

Vibrations