Geometry & MOs

Info

ID:	381452
PubChem CID:	134972196
Reduced:	NSSi2O4C25H43 (1)
Stoich.:	ABC2D4E25F43 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-259.81
Dipole, Da:	1.78
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopenta-2,4-dien-1-yl-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]2[C@H](O1)N=C(O2)SCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations