Geometry & MOs

Info

ID:	127837
PubChem CID:	51018997
Reduced:	N2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	94.47
Dipole, Da:	3.2
IP(EA), eV:	-8.9(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,11R,12R)-5-hydroxy-13,14-dimethylidene-15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-3,10-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)[C@H]3C[C@@H]2C=C3

DOS

IR

Vibrations