Geometry & MOs

Info

ID:	197772
PubChem CID:	78994641
Reduced:	N2O2F3C10H13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-214.54
Dipole, Da:	1.76
IP(EA), eV:	-10.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-acetamidoethylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C(=O)NCCOCC(F)(F)F

DOS

IR

Vibrations