Geometry & MOs

Info

ID:	385813
PubChem CID:	134980056
Reduced:	NOF7C12H12 (1)
Stoich.:	ABC7D12E12 (1)
Weight, g/mol:	319.080711
ΔH_f, kcal/mol:	-374.71
Dipole, Da:	5.59
IP(EA), eV:	-10.04(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1[C@H]2C[C@@H]([C@H]1C(C(C(F)(F)F)(F)F)(F)F)C=C2

DOS

IR

Vibrations