Geometry & MOs

Info

ID:	424223
PubChem CID:	135121796
Reduced:	INOC14H22 (2)
Stoich.:	ABCD14E22 (2)
Weight, g/mol:	339.10452
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	11.07
IP(EA), eV:	-7.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=C(\CC)/C1=CC=C(C=C1)OCC[N+](C)(C)C)/C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-]

DOS

IR

Vibrations