Geometry & MOs

Info

ID:	212302
PubChem CID:	81060077
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	269.132826
ΔH_f, kcal/mol:	56.3
Dipole, Da:	3.19
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations