Geometry & MOs

Info

ID:	426242
PubChem CID:	135142922
Reduced:	O2N7C21H27 (1)
Stoich.:	A2B7C21D27 (1)
Weight, g/mol:	291.078996
ΔH_f, kcal/mol:	48.41
Dipole, Da:	5.15
IP(EA), eV:	-8.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylsulfonylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene

Drug info:

PubChemData

Smile

COCCC(=NCC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)NO

DOS

IR

Vibrations