Geometry & MOs

Info

ID:	5869
PubChem CID:	13934
Reduced:	NO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	266.175619
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	1.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751126
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1(COC(OC1)C2=CC=CC=C2)CO

DOS

IR

Vibrations