Geometry & MOs

Info

ID:

184068

PubChem CID:

77105220

Reduced:

NO5C22H23 (1)

Stoich.:

AB5C22D23 (1)

Weight, g/mol:

377.203353

ΔHf, kcal/mol:

-111.66

Dipole, Da:

4.2

IP(EA), eV:

 -8.73(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(111C)methyl 2-[3-(4-(111C)methoxyphenyl)-4-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(311C)propanoate

Drug info:

PubChemData

Smile

[11CH3]C([12CH3])(C1=C(C(=NO1)C2=CC=C(C=C2)O[11CH3])C3=CC=C(C=C3)O[11CH3])C(=O)O[11CH3]

DOS

IR

Vibrations