Geometry & MOs

Info

ID:

408894

PubChem CID:

135081665

Reduced:

AuClH5C8 (1)

Stoich.:

ABC5D8 (1)

Weight, g/mol:

204.187801

ΔHf, kcal/mol:

156.74

Dipole, Da:

7.14

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.756793

Charge, e:

0

Chem-info

IUPAC name:

(1R,2S,5R,8S)-2-methyl-7-methylidene-5-propan-2-yltricyclo[4.4.0.02,8]decane

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.[Cl-].[Au+]

DOS

IR

Vibrations