Geometry & MOs

Info

ID:	372826
PubChem CID:	131305531
Reduced:	BrN5H6C8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	239.028396
ΔH_f, kcal/mol:	106.57
Dipole, Da:	3.47
IP(EA), eV:	-9.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-chlorophenyl)-1,2,4-thiadiazol-3-yl]ethanamine

Drug info:

PubChemData

Smile

C1=C(C2=NC=C(N2C=N1)C(C#N)N)Br

DOS

IR

Vibrations