Geometry & MOs

Info

ID:	220438
PubChem CID:	85195355
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	1.98
IP(EA), eV:	-10.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1(OC(OO1)CCCCCC=O)C#N

DOS

IR

Vibrations