Geometry & MOs

Info

ID:	399674
PubChem CID:	135041628
Reduced:	NO2S2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	3.43
IP(EA), eV:	-9.51(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-2-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(S1)C2=CC=C(S2)C#N

DOS

IR

Vibrations