Geometry & MOs

Info

ID:	28012
PubChem CID:	824841
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	2.04
IP(EA), eV:	-9.26(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-[(1R)-1-hydroxyethyl]spiro[3-oxa-1-azabicyclo[4.2.0]octane-2,1'-cyclohexane]-8-one

Drug info:

PubChemData

Smile

CC#CC1(CCC(CC1)C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations