Geometry & MOs

Info

ID:	254282
PubChem CID:	103123915
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	1.51
Dipole, Da:	3.81
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(cyclobutylmethyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC=CS2)C3CCNCC3

DOS

IR

Vibrations