Geometry & MOs

Info

ID:	50646
PubChem CID:	12013211
Reduced:	OH12C13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	71.27
Dipole, Da:	2.54
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R,8R,14R)-7-methyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-5,10-dien-9-one

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@H]2CO[C@H]3[C@@]24[C@@]1(C(=O)C(=C4CC3)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations