Geometry & MOs

Info

ID:	387771
PubChem CID:	134986854
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	186.081143
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	1.81
IP(EA), eV:	-9.13(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one

Drug info:

PubChemData

Smile

CC(C)(C)OC1(CC12C=CC=C2)OC

DOS

IR

Vibrations