Geometry & MOs

Info

ID:	228318
PubChem CID:	87563912
Reduced:	BrNO3C6H12 (1)
Stoich.:	ABC3D6E12 (1)
Weight, g/mol:	406.244386
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	1.8
IP(EA), eV:	-10.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;benzyl 4-hydroxy-4-(6-methoxypyridin-3-yl)piperidine-1-carboxylate;butane

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCCON)Br

DOS

IR

Vibrations