Geometry & MOs

Info

ID:	342621
PubChem CID:	127265781
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	284.035255
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	7.54
IP(EA), eV:	-9.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-(5-cyanopyridin-2-yl)ethenyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCCN(CC1=O)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

DOS

IR

Vibrations