Geometry & MOs

Info

ID:

339779

PubChem CID:

127261788

Reduced:

NO2C17H17 (1)

Stoich.:

AB2C17D17 (1)

Weight, g/mol:

267.125929

ΔHf, kcal/mol:

5.14

Dipole, Da:

5.31

IP(EA), eV:

-8.63(-0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S,5R)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](ON=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations