Geometry & MOs

Info

ID:	295299
PubChem CID:	117525637
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	29.45
Dipole, Da:	0.98
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[2-(3-methylphenyl)ethyl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC2=CC(=C(C=N2)O)C#N

DOS

IR

Vibrations