Geometry & MOs

Info

ID:	388530
PubChem CID:	134989403
Reduced:	NSiC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	24.62
Dipole, Da:	3.88
IP(EA), eV:	-9.37(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-3-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)/C(=C\C#N)/C1=CC=CC=C1

DOS

IR

Vibrations