Geometry & MOs

Info

ID:	250774
PubChem CID:	103098976
Reduced:	BrON6C7H7 (1)
Stoich.:	ABC6D7E7 (1)
Weight, g/mol:	273.96363
ΔH_f, kcal/mol:	51.77
Dipole, Da:	5.65
IP(EA), eV:	-8.68(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CN=C(C1=O)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations