Geometry & MOs

Info

ID:

146079

PubChem CID:

53632652

Reduced:

NSO3C29H31 (1)

Stoich.:

ABC3D29E31 (1)

Weight, g/mol:

1142.691905

ΔHf, kcal/mol:

-50.94

Dipole, Da:

4.14

IP(EA), eV:

 -9.01(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 5

Chem-info

IUPAC name:

4-(2-acetamidoethoxy)-3,5-dimethylbenzenediazonium;3-tert-butyl-4,5-dimethylbenzenediazonium;2,6-diethyl-4-methylbenzenediazonium;ethene;4-[1-(4-methoxyphenoxy)propan-2-yloxy]-2-methyl-6-propan-2-ylbenzenediazonium;8-methyl-3,4-dihydro-2H-chromene-6-diazonium

Drug info:

PubChemData

Smile

C=CCOC(=O)N1C[C@H](CC[C@H]1CO)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations