Geometry & MOs

Info

ID:	13733
PubChem CID:	397286
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	60.82
Dipole, Da:	1.99
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)C

DOS

IR

Vibrations