Geometry & MOs

Info

ID:	269615
PubChem CID:	103618211
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	309.216475
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	3.41
IP(EA), eV:	-8.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations