Geometry & MOs

Info

ID:	48530
PubChem CID:	11078735
Reduced:	OH6C8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	5.36
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-N-phenylmethoxymethanimine

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C3=CC=CC=C3OC2=O)O[C@H]1C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations