Geometry & MOs

Info

ID:

328094

PubChem CID:

126692030

Reduced:

N3O5F6H27C31 (1)

Stoich.:

A3B5C6D27E31 (1)

Weight, g/mol:

400.189926

ΔHf, kcal/mol:

-434.03

Dipole, Da:

10.89

IP(EA), eV:

 -9.02(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,6-dimethylquinolin-5-yl)-6-(methylamino)phenyl]formamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5C[C@@H]5C(=O)O)O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations