Geometry & MOs

Info

ID:	212466
PubChem CID:	81060605
Reduced:	NC6H7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	48.33
Dipole, Da:	4.47
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations