Geometry & MOs

Info

ID:	28718
PubChem CID:	829142
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	1.58
Dipole, Da:	8.9
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R)-1,5-ditert-butylpiperidin-3-yl] acetate

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)OC3=CC=CC=C32)N=N1

DOS

IR

Vibrations