Geometry & MOs

Info

ID:	3192
PubChem CID:	9308
Reduced:	NO2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	174.149404
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	2.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751603
Charge, e:	1

Chem-info

IUPAC name:

[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O

DOS

IR

Vibrations