Geometry & MOs

Info

ID:

400272

PubChem CID:

135047171

Reduced:

NC18H18 (1)

Stoich.:

AB18C18 (1)

Weight, g/mol:

237.209264

ΔHf, kcal/mol:

94.77

Dipole, Da:

1.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.180177

Charge, e:

 0

Chem-info

IUPAC name:

3-methylphenolate;tetraethylazanium

Drug info:

PubChemData

Smile

CN(C)[C@H](C1=CC2=CC=CC=C2C=C1)[C]3[CH][CH][CH][CH]3

DOS

IR

Vibrations