Geometry & MOs

Info

ID:	220802
PubChem CID:	85239995
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	273.104817
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	3.48
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodec-2-ene-7-thione

Drug info:

PubChemData

Smile

CC12CCCC(N1OC=C2C(=O)OC)CC(=O)OC

DOS

IR

Vibrations