Geometry & MOs

Info

ID:	391639
PubChem CID:	135007543
Reduced:	BrSiO9C29H49 (1)
Stoich.:	ABC9D29E49 (1)
Weight, g/mol:	293.120449
ΔH_f, kcal/mol:	-415.85
Dipole, Da:	3.53
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diphenyl-3H-indene-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H](C/C=C/C=C/C(=O)OC)[C@@H](/C=C(/C=C/CO)\Br)O[Si](C)(C)C(C)(C)C)OC)OC)OC

DOS

IR

Vibrations