Geometry & MOs

Info

ID:

136148

PubChem CID:

51987196

Reduced:

NO3C14H24 (1)

Stoich.:

AB3C14D24 (1)

Weight, g/mol:

288.136646

ΔHf, kcal/mol:

-97.84

Dipole, Da:

4.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.105440

Charge, e:

 1

Chem-info

IUPAC name:

(3-chloro-5-ethoxy-4-methoxyphenyl)methyl-(4-hydroxybutyl)azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C[NH2+]CCCCO)OC

DOS

IR

Vibrations