Geometry & MOs

Info

ID:	5639
PubChem CID:	13426
Reduced:	NO3C9H20 (1)
Stoich.:	AB3C9D20 (1)
Weight, g/mol:	190.144319
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751125
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1(COCOC1)CO

DOS

IR

Vibrations