Geometry & MOs

Info

ID:	399792
PubChem CID:	135042756
Reduced:	NCl2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	6.84
Dipole, Da:	1.17
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=CC(=C2Cl)Cl)C(=N1)C

DOS

IR

Vibrations