Geometry & MOs

Info

ID:

421487

PubChem CID:

135116085

Reduced:

O7N9C42H55 (1)

Stoich.:

A7B9C42D55 (1)

Weight, g/mol:

391.190734

ΔHf, kcal/mol:

-250.73

Dipole, Da:

3.25

IP(EA), eV:

 -8.08(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=C(NC=N5)C)C(C)C

DOS

IR

Vibrations