Geometry & MOs

Info

ID:	212433
PubChem CID:	81060529
Reduced:	FN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	18.86
Dipole, Da:	4.38
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations