Geometry & MOs

Info

ID:	408354
PubChem CID:	135081120
Reduced:	PCl2O3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-193.03
Dipole, Da:	2.14
IP(EA), eV:	-9.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6-trimethyl-4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran

Drug info:

PubChemData

Smile

CCCOP(=O)(C(=CCl)Cl)OCCC

DOS

IR

Vibrations