Geometry & MOs

Info

ID:	402331
PubChem CID:	135055537
Reduced:	NC11H17 (1)
Stoich.:	AB11C17 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	15.66
Dipole, Da:	1.87
IP(EA), eV:	-8.46(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

Drug info:

PubChemData

Smile

CC1C2=C(C=CN1CCCC2)C

DOS

IR

Vibrations