Geometry & MOs

Info

ID:	337413
PubChem CID:	127257098
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	5.45
IP(EA), eV:	-10.17(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-1-benzhydryl-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\C(C)C(=O)O

DOS

IR

Vibrations