Geometry & MOs

Info

ID:	127694
PubChem CID:	51011619
Reduced:	O8C33H48 (1)
Stoich.:	A8B33C48 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-328.12
Dipole, Da:	2.12
IP(EA), eV:	-8.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S,6R,8R,9S)-2-(hydroxymethyl)-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-en-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=C[C@@H]2[C@]1([C@H]([C@@H]3CC[C@]2(C3(C)C)OC)OCOC)O)[C@@]4(COC(O4)(C)C)[C@@H](C=C)OCC5=CC=C(C=C5)OC

DOS

IR

Vibrations