Geometry & MOs

Info

ID:	252364
PubChem CID:	103110839
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	4.78
IP(EA), eV:	-9.43(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=C(C=CC=C2N=N1)C(=O)O

DOS

IR

Vibrations