Geometry & MOs

Info

ID:	323090
PubChem CID:	126672256
Reduced:	FON6H17C21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	55.59
Dipole, Da:	4.78
IP(EA), eV:	-8.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxatricyclo[3.3.1.02,4]nonane-7-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations