Geometry & MOs

Info

ID:	19968
PubChem CID:	575998
Reduced:	SN4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	208.078268
ΔH_f, kcal/mol:	80.16
Dipole, Da:	3.86
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazine-6-thiol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2NNC(=NN2)S

DOS

IR

Vibrations