Geometry & MOs

Info

ID:	216049
PubChem CID:	85085632
Reduced:	BrO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	5.03
IP(EA), eV:	-10.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(hydroxymethyl)piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

C1C2C(O2)C3C(C1OC3=O)Br

DOS

IR

Vibrations