Geometry & MOs

Info

ID:	254271
PubChem CID:	103123865
Reduced:	SO2N6C7H10 (1)
Stoich.:	AB2C6D7E10 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	19.84
Dipole, Da:	7.89
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-ethylbutyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NN=C(N2C)S(=O)(=O)N

DOS

IR

Vibrations