Geometry & MOs

Info

ID:	143542
PubChem CID:	53223999
Reduced:	NCl2O2H7C12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	309.020414
ΔH_f, kcal/mol:	-40.53
Dipole, Da:	3.16
IP(EA), eV:	-9.81(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(2-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=NC=CC(=C2)C(=O)O)Cl

DOS

IR

Vibrations