Geometry & MOs

Info

ID:	375690
PubChem CID:	134220818
Reduced:	INOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	419.127918
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	2.99
IP(EA), eV:	-9.06(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-[4-(trifluoromethyl)phenoxy]pyridin-2-yl]-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN)CCOSI

DOS

IR

Vibrations