Geometry & MOs

Info

ID:	212467
PubChem CID:	81060606
Reduced:	F3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	299.118925
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	5.59
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-chlorophenyl)ethyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations