Geometry & MOs

Info

ID:	384473
PubChem CID:	134977045
Reduced:	PC24H26 (1)
Stoich.:	AB24C26 (1)
Weight, g/mol:	371.192863
ΔH_f, kcal/mol:	53.23
Dipole, Da:	8.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939373
Charge, e:	1

Chem-info

IUPAC name:

(1S,10R)-5,6-dimethyl-9,9-diphenyl-9-phosphoniatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC1CC([P+](CC2=CC=CC=C12)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations