Geometry & MOs

Info

ID:	251474
PubChem CID:	103104251
Reduced:	SO2N5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	184.107259
ΔH_f, kcal/mol:	-29.75
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C2=NC=CN=C2S1)N

DOS

IR

Vibrations