Geometry & MOs

Info

ID:	263489
PubChem CID:	103371622
Reduced:	NSF3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	275.160932
ΔH_f, kcal/mol:	-190.13
Dipole, Da:	3.48
IP(EA), eV:	-8.88(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]propanenitrile

Drug info:

PubChemData

Smile

CCC(C)SCC(CN)C(F)(F)F

DOS

IR

Vibrations