Geometry & MOs

Info

ID:	385546
PubChem CID:	134979377
Reduced:	NOF7H10C11 (1)
Stoich.:	ABC7D10E11 (1)
Weight, g/mol:	305.065061
ΔH_f, kcal/mol:	-375.67
Dipole, Da:	5.7
IP(EA), eV:	-10.4(0.35)
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)bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)N)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations