Geometry & MOs

Info

ID:	410893
PubChem CID:	135083694
Reduced:	NSH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	107.17
Dipole, Da:	1.78
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-2,2,6,8-tetramethyl-7,9,10-trioxatricyclo[6.2.2.01,6]dodec-11-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC#CC2=CC=CS2

DOS

IR

Vibrations