Geometry & MOs

Info

ID:	285187
PubChem CID:	104098518
Reduced:	ClON6C9H11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	273.96363
ΔH_f, kcal/mol:	53.55
Dipole, Da:	1.53
IP(EA), eV:	-9.37(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C(=N1)NCCN2C=CN=N2)Cl

DOS

IR

Vibrations