Geometry & MOs

Info

ID:

396650

PubChem CID:

135028985

Reduced:

BrH13C24 (2)

Stoich.:

AB13C24 (2)

Weight, g/mol:

313.170935

ΔHf, kcal/mol:

275.18

Dipole, Da:

5.43

IP(EA), eV:

 -7.97(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-methoxy-4-trimethylsilyloxy-1-azabicyclo[4.1.0]hept-3-ene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@H](C3=C2C4=CC=CC=C4C5=C3[C](C6=CC=CC=C65)Br)[C@H]7C8=CC=CC=C8C9=C7C1=C(C2=CC=CC=C29)C2=CC=CC=C2[C]1Br

DOS

IR

Vibrations