Geometry & MOs

Info

ID:

44599

PubChem CID:

10504296

Reduced:

NO7C25H37 (1)

Stoich.:

AB7C25D37 (1)

Weight, g/mol:

462.104389

ΔHf, kcal/mol:

-315.53

Dipole, Da:

5.24

IP(EA), eV:

 -8.92(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-3-[(dimethylazaniumyl)methyl]-2-hydroxyphenyl]methyl-dimethylazanium;dichloride

Drug info:

PubChemData

Smile

CCCC(C)(C)C[C@H]1[C@@H]([C@H](CN1C(=O)OC(C)(C)C)C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

DOS

IR

Vibrations