Geometry & MOs

Info

ID:

426402

PubChem CID:

135143859

Reduced:

ON4H40C52 (1)

Stoich.:

AB4C40D52 (1)

Weight, g/mol:

357.168856

ΔHf, kcal/mol:

208.09

Dipole, Da:

1.31

IP(EA), eV:

 -8.06(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-(5-tert-butyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylphenoxy]ethanol

Drug info:

PubChemData

Smile

CCC1=C(N(C2=CC=CC=C21)C3=CC=CC(=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=C7C(C6)C8=CC=CC=C8O7)/C=C(\C)/C9=CC=CC=C9C1=CC=CC=C1

DOS

IR

Vibrations