Geometry & MOs

Info

ID:	263439
PubChem CID:	103367617
Reduced:	F3N3C11H12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	234.134383
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	3.47
IP(EA), eV:	-9.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CNCC(C#N)C(F)(F)F

DOS

IR

Vibrations