Geometry & MOs

Info

ID:	389422
PubChem CID:	134992842
Reduced:	BrNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	291.99603
ΔH_f, kcal/mol:	-149.03
Dipole, Da:	1.54
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,8S)-6-iodo-8-methyl-2-oxatricyclo[5.2.1.04,10]decan-3-one

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N2CCC[C@H]2C(=O)O1)C(C)(C)Br

DOS

IR

Vibrations