Geometry & MOs

Info

ID:	212432
PubChem CID:	81060528
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	269.132826
ΔH_f, kcal/mol:	16.13
Dipole, Da:	4.72
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCC2CCCC2

DOS

IR

Vibrations