Geometry & MOs

Info

ID:	295298
PubChem CID:	117525505
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	6.05
Dipole, Da:	1.19
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=C3CNCCC3=N2)C

DOS

IR

Vibrations