Geometry & MOs

Info

ID:	3497
PubChem CID:	9725
Reduced:	NOC11H18 (1)
Stoich.:	ABC11D18 (1)
Weight, g/mol:	180.138839
ΔH_f, kcal/mol:	7.52
Dipole, Da:	1.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751346
Charge, e:	1

Chem-info

IUPAC name:

trimethyl(2-phenoxyethyl)azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOC1=CC=CC=C1

DOS

IR

Vibrations