Geometry & MOs

Info

ID:	5126
PubChem CID:	12633
Reduced:	BrNOC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	287.08848
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	11.29
IP(EA), eV:	-8.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations