Geometry & MOs

Info

ID:

182942

PubChem CID:

76959825

Reduced:

PK2C3O9H13 (2)

Stoich.:

AB2C3D9E13 (2)

Weight, g/mol:

774.247472

ΔHf, kcal/mol:

-1201.6

Dipole, Da:

13.04

IP(EA), eV:

 -8.4(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one;(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C([C@H](COP(=O)([O-])[O-])O)O.C([C@@H](COP(=O)([O-])[O-])O)O.O.O.O.O.O.O.[K+].[K+].[K+].[K+]

DOS

IR

Vibrations