Geometry & MOs

Info

ID:	303755
PubChem CID:	124490136
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	190.989713
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	2.78
IP(EA), eV:	-9.6(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R)-2,5,8-trithia-10-azatricyclo[5.2.1.04,10]decane

Drug info:

PubChemData

Smile

CC1(COC(OC1)[C@H]2[C@H]3[C@@H]2C=CC3)C

DOS

IR

Vibrations