Geometry & MOs

Info

ID:	341046
PubChem CID:	127263481
Reduced:	FN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	374.03967
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	3.69
IP(EA), eV:	-9.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(5-bromo-4-chloropyridin-3-yl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CNC(=O)C1C(=O)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations