Geometry & MOs

Info

ID:	323306
PubChem CID:	126674087
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	146.037465
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	6.81
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diaminoamino)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C=CCOC1=CC(=C(C=C1)OCC=C)C(=O)O

DOS

IR

Vibrations