Geometry & MOs

Info

ID:	342750
PubChem CID:	127265913
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	267.064391
ΔH_f, kcal/mol:	82.96
Dipole, Da:	2.46
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-hydroxy-2-nitrophenyl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCCC#N)C=CC2=C(C=NC=C2)C#N

DOS

IR

Vibrations