Geometry & MOs

Info

ID:

14444

PubChem CID:

411628

Reduced:

NO2C18H20 (1)

Stoich.:

AB2C18D20 (1)

Weight, g/mol:

282.149404

ΔHf, kcal/mol:

3.29

Dipole, Da:

4.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793322

Charge, e:

 1

Chem-info

IUPAC name:

1-phenyl-2-(4-phenylmorpholin-4-ium-4-yl)ethanone

Drug info:

PubChemData

Smile

C1COCC[N+]1(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations