Geometry & MOs

Info

ID:	212206
PubChem CID:	81059816
Reduced:	OF3N3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-160.84
Dipole, Da:	4.26
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCOCC(F)(F)F

DOS

IR

Vibrations