Geometry & MOs

Info

ID:	304320
PubChem CID:	124525389
Reduced:	O2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	250.09938
ΔH_f, kcal/mol:	21.4
Dipole, Da:	3.62
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,11S,12R)-10-methylidene-17-oxapentacyclo[10.2.2.12,11.02,11.04,9]heptadeca-4,6,8,13-tetraen-3-one

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)[C@]34[C@@]1(O3)[C@@H]5CC[C@@H]4C=C5

DOS

IR

Vibrations