Geometry & MOs

Info

ID:	160985
PubChem CID:	57390439
Reduced:	ON2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	65.1
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,13S,15R)-8-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CN=N2)C3=CN=C(C=C3)C#N)OC

DOS

IR

Vibrations