Geometry & MOs

Info

ID:	285233
PubChem CID:	104098745
Reduced:	N6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	309.216475
ΔH_f, kcal/mol:	120.48
Dipole, Da:	6.46
IP(EA), eV:	-8.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)CNCCN3C=CN=N3

DOS

IR

Vibrations