Geometry & MOs

Info

ID:	276414
PubChem CID:	103823109
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	21.43
Dipole, Da:	3.3
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1-hydroxyethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCC3=C2C=C(C=C3)F

DOS

IR

Vibrations