Geometry & MOs

Info

ID:	263442
PubChem CID:	103367895
Reduced:	F3N3C13H20 (1)
Stoich.:	A3B3C13D20 (1)
Weight, g/mol:	222.134383
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	5.62
IP(EA), eV:	-8.91(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)CC(C#N)C(F)(F)F

DOS

IR

Vibrations