Geometry & MOs

Info

ID:

383187

PubChem CID:

134974761

Reduced:

NO2H18C22 (1)

Stoich.:

AB2C18D22 (1)

Weight, g/mol:

145.146664

ΔHf, kcal/mol:

13.91

Dipole, Da:

5.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.220574

Charge, e:

 0

Chem-info

IUPAC name:

2-[butyl(dimethyl)azaniumyl]ethanolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C4=CC=CC=C42

DOS

IR

Vibrations