Geometry & MOs

Info

ID:	385520
PubChem CID:	134979298
Reduced:	AuPO2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	156.0939
ΔH_f, kcal/mol:	99.0
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.757795
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),6-diene

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Au]

DOS

IR

Vibrations