Geometry & MOs

Info

ID:	341061
PubChem CID:	127263496
Reduced:	BrOCl2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	301.088099
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3R,5R)-5-fluoro-1-formylpiperidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)N2CCNCC2)Br.Cl.Cl

DOS

IR

Vibrations