Geometry & MOs

Info

ID:	252746
PubChem CID:	103113732
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	5.83
IP(EA), eV:	-9.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(1-methylpiperidin-2-yl)ethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CN=C(S2)C)C(=O)OC

DOS

IR

Vibrations