Geometry & MOs

Info

ID:

216321

PubChem CID:

85086046

Reduced:

FO2N4C11H16 (1)

Stoich.:

AB2C4D11E16 (1)

Weight, g/mol:

254.094294

ΔHf, kcal/mol:

-101.91

Dipole, Da:

3.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.868355

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-phenyloxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C[N+]1=CN=C2C1C(=O)N(C(=O)N2C)C)F

DOS

IR

Vibrations