Geometry & MOs

Info

ID:

59394

PubChem CID:

24852643

Reduced:

N3O5C32H53 (1)

Stoich.:

A3B5C32D53 (1)

Weight, g/mol:

429.196489

ΔHf, kcal/mol:

-249.44

Dipole, Da:

7.54

IP(EA), eV:

 -7.96(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(2-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C1CCOCC1)NC(=O)C(C)(C)C[C@@H]2CC[C@H](CN2)OCC3=CC4=C(C=C3)OC(CN4CCCOC)(C)C

DOS

IR

Vibrations