Geometry & MOs

Info

ID:	5638
PubChem CID:	13425
Reduced:	BrNO3C9H20 (1)
Stoich.:	ABC3D9E20 (1)
Weight, g/mol:	269.06266
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	14.99
IP(EA), eV:	-7.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)-1,3-dioxan-5-yl]methyl-trimethylazanium;bromide

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1(COCOC1)CO.[Br-]

DOS

IR

Vibrations