Geometry & MOs

Info

ID:	50856
PubChem CID:	12013445
Reduced:	NC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	471.106767
ΔH_f, kcal/mol:	8.74
Dipole, Da:	5.18
IP(EA), eV:	-9.19(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1CCN2C1(C(CC2)C)C#N

DOS

IR

Vibrations