Geometry & MOs

Info

ID:	390275
PubChem CID:	134998251
Reduced:	OC14H28 (1)
Stoich.:	AB14C28 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-111.07
Dipole, Da:	1.95
IP(EA), eV:	-10.08(2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR,9aS,9bS)-3,5a,9a,9b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

Drug info:

PubChemData

Smile

CCCC1CCCC1CC(CC)(CC)O

DOS

IR

Vibrations