Geometry & MOs

Info

ID:	5127
PubChem CID:	12634
Reduced:	NOC13H22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	208.170139
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755820
Charge, e:	1

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)ethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC[N+](C)(C)C

DOS

IR

Vibrations