Geometry & MOs

Info

ID:	5876
PubChem CID:	13941
Reduced:	BrNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	359.10961
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	9.43
IP(EA), eV:	-8.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations