Geometry & MOs

Info

ID:	127613
PubChem CID:	51008400
Reduced:	BrO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	23.4
Dipole, Da:	2.29
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,5R)-3-ethenoxy-2,6,6-trimethylbicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

COC(=O)C1=C([C@@H]2C=C[C@@H]1C3=CC=CC=C23)Br

DOS

IR

Vibrations