Geometry & MOs

Info

ID:	382225
PubChem CID:	134973232
Reduced:	SiO3C18H28 (1)
Stoich.:	AB3C18D28 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	3.92
IP(EA), eV:	-8.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-bromo-N-[(4-methoxyphenyl)methyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazol-4-imine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H](O1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations