Geometry & MOs

Info

ID:	47937
PubChem CID:	10535897
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	1.59
IP(EA), eV:	-9.55(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-1-(ethoxymethyl)bicyclo[4.2.1]nonan-2-one

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1C[C@H](CCC1=C)C(=O)C)O

DOS

IR

Vibrations