Geometry & MOs

Info

ID:

180365

PubChem CID:

76622587

Reduced:

F3O4N5C23H26 (1)

Stoich.:

A3B4C5D23E26 (1)

Weight, g/mol:

572.188269

ΔHf, kcal/mol:

-251.55

Dipole, Da:

6.17

IP(EA), eV:

 -9.14(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(1-amino-2-hydroxyethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[2-(phenoxymethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(OC(=N1)C2=C3C=CC(=NC3=C(C=C2)OC)C(F)(F)F)C(C)N)C(=O)N(C)C

DOS

IR

Vibrations