Geometry & MOs

Info

ID:	397316
PubChem CID:	135030031
Reduced:	OSC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	335.188529
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	3.19
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,8aS)-8,8-dibenzyl-2-methyl-3,6,7,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

CCCCOC(CSC1=CC=C(C=C1)C)C2=CC=CC=C2

DOS

IR

Vibrations