Geometry & MOs

Info

ID:	21269
PubChem CID:	587818
Reduced:	ClN2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	260.035255
ΔH_f, kcal/mol:	27.42
Dipole, Da:	2.29
IP(EA), eV:	-9.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(benzylideneamino) 2-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NOC(=O)C2=C(N=CC=C2)Cl

DOS

IR

Vibrations