Geometry & MOs

Info

ID:	5953
PubChem CID:	14175
Reduced:	BrNO4C17H26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	387.10452
ΔH_f, kcal/mol:	-166.37
Dipole, Da:	9.46
IP(EA), eV:	-8.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium;bromide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(COC(O1)C2=CC=CC=C2)C[N+](C)(C)C.[Br-]

DOS

IR

Vibrations