Geometry & MOs

Info

ID:	434856
PubChem CID:	135175838
Reduced:	ClN2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	2.4
Dipole, Da:	2.39
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,10R,11R)-7,10-dimethyl-5-oxatricyclo[9.4.0.04,7]pentadec-1(15)-en-14-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=N1)N)Cl

DOS

IR

Vibrations