Geometry & MOs

Info

ID:	224591
PubChem CID:	85345154
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	1.82
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-1,13-diazatetracyclo[6.6.0.02,6.09,13]tetradecane

Drug info:

PubChemData

Smile

COCOC(CCSC1=CC=CC=C1)CC2CO2

DOS

IR

Vibrations