Geometry & MOs

Info

ID:	340649
PubChem CID:	127262660
Reduced:	AuClPC24H32 (1)
Stoich.:	ABCD24E32 (1)
Weight, g/mol:	564.293448
ΔH_f, kcal/mol:	77.97
Dipole, Da:	18.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.031640
Charge, e:	0

Chem-info

IUPAC name:

2,5,8,12,15,20,23,26,30,33-decaoxatricyclo[32.2.2.216,19]tetraconta-1(37),16,18,34(38),35,39-hexaene

Drug info:

PubChemData

Smile

C1CCC(CC1)[PH+](C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4.Cl[Au]

DOS

IR

Vibrations