Geometry & MOs

Info

ID:	221080
PubChem CID:	85256745
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.10823
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.18
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3-methyl-10-(propylsulfanylmethyl)-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one

Drug info:

PubChemData

Smile

CC1C2C(CN1CC=C)CON2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations