Geometry & MOs

Info

ID:	386084
PubChem CID:	134980738
Reduced:	O2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	3.16
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,7R,8R)-3-methyl-5-oxatricyclo[5.3.1.03,8]undec-9-en-4-one

Drug info:

PubChemData

Smile

C[C@@H](C=C)[C@H](C(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations