Geometry & MOs

Info

ID:	400301
PubChem CID:	135047416
Reduced:	OsS2N5F6O8C16H33 (1)
Stoich.:	AB2C5D6E8F16G33 (1)
Weight, g/mol:	134.084398
ΔH_f, kcal/mol:	-640.44
Dipole, Da:	10.83
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-7-azabicyclo[2.2.1]hept-5-ene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)CCC1C2=C(CCCC2)C=CC1=O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+2]

DOS

IR

Vibrations