Geometry & MOs

Info

ID:	401340
PubChem CID:	135050994
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	20.07
Dipole, Da:	5.8
IP(EA), eV:	-8.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-bis(triazol-1-yl)octane-1,8-dione

Drug info:

PubChemData

Smile

CCCN(CCC)/C(=C(\C#N)/C(=S)N)/N

DOS

IR

Vibrations