Geometry & MOs

Info

ID:	21273
PubChem CID:	587823
Reduced:	FCl2N2O2H7C13 (1)
Stoich.:	AB2C2D2E7F13 (1)
Weight, g/mol:	311.986861
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	1.83
IP(EA), eV:	-9.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-chloro-4-fluorophenyl)methylideneamino] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=NOC(=O)C2=CN=C(C=C2)Cl)Cl)F

DOS

IR

Vibrations