Geometry & MOs

Info

ID:	263441
PubChem CID:	103367870
Reduced:	F3N4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	275.160932
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	5.0
IP(EA), eV:	-8.72(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]propanenitrile

Drug info:

PubChemData

Smile

CN(C)CCN1CCN(CC1)CC(C#N)C(F)(F)F

DOS

IR

Vibrations