Geometry & MOs

Info

ID:	41333
PubChem CID:	8145675
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	5.69
IP(EA), eV:	-8.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,6aS)-3a,6a-dimethyl-4-prop-1-en-2-yl-3-prop-2-enyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2CN3CCN(CC3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations