Geometry & MOs

Info

ID:	127787
PubChem CID:	51015223
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	326.050791
ΔH_f, kcal/mol:	141.95
Dipole, Da:	1.65
IP(EA), eV:	-8.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4R,6R)-1,4-dichloro-3-hydroxy-7,7-dimethoxy-6-trimethylsilylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CN1C[C@H]2C[C@@H]1CN2C3=NC=C(N=C3)C#CC4=CC=CC=C4

DOS

IR

Vibrations