Geometry & MOs

Info

ID:	263490
PubChem CID:	103371714
Reduced:	F3N3C13H20 (1)
Stoich.:	A3B3C13D20 (1)
Weight, g/mol:	221.113982
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	4.8
IP(EA), eV:	-8.92(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(NC1)C2CCCN(C2)CC(C#N)C(F)(F)F

DOS

IR

Vibrations