Geometry & MOs

Info

ID:	3467
PubChem CID:	9694
Reduced:	NOC14H24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	222.185789
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	1.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752072
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations