Geometry & MOs

Info

ID:	127714
PubChem CID:	51012633
Reduced:	ClNO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-39.93
Dipole, Da:	5.76
IP(EA), eV:	-10.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@H]2C=C([C@H]1OC2=O)Cl)C#N

DOS

IR

Vibrations