Geometry & MOs

Info

ID:	252487
PubChem CID:	103111739
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	266.112738
ΔH_f, kcal/mol:	-115.79
Dipole, Da:	0.64
IP(EA), eV:	-9.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC=N1)S(=O)(=O)C

DOS

IR

Vibrations