Geometry & MOs

Info

ID:	3904
PubChem CID:	10386
Reduced:	NOC11H18 (1)
Stoich.:	ABC11D18 (1)
Weight, g/mol:	180.138839
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750708
Charge, e:	1

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)ethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC1=CC(=CC=C1)O

DOS

IR

Vibrations