Geometry & MOs

Info

ID:	251621
PubChem CID:	103105381
Reduced:	BrSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	3.51
IP(EA), eV:	-9.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CSC(=C2)Br)C(C)C

DOS

IR

Vibrations