Geometry & MOs

Info

ID:	393717
PubChem CID:	135021556
Reduced:	H7C9 (3)
Stoich.:	A7B9 (3)
Weight, g/mol:	350.203451
ΔH_f, kcal/mol:	138.52
Dipole, Da:	0.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.215937
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-triphenyl-3a,4,5,6,7,7a-hexahydro-1H-indene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C+]=C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations