Geometry & MOs

Info

ID:

6036

PubChem CID:

14326

Reduced:

NOC11H18 (1)

Stoich.:

ABC11D18 (1)

Weight, g/mol:

180.138839

ΔHf, kcal/mol:

-1.84

Dipole, Da:

3.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767116

Charge, e:

 1

Chem-info

IUPAC name:

diethyl-(3-hydroxyphenyl)-methylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations