Geometry & MOs

Info

ID:

449908

PubChem CID:

135302452

Reduced:

O2F3N5H26C30 (1)

Stoich.:

A2B3C5D26E30 (1)

Weight, g/mol:

560.19836

ΔHf, kcal/mol:

-87.52

Dipole, Da:

3.68

IP(EA), eV:

 -8.95(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-(1,1-difluoroethoxy)-1,3-benzoxazol-2-yl]pyridin-2-yl]-[4-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=CC(=C6)C(F)(F)F

DOS

IR

Vibrations