Geometry & MOs

Info

ID:	328107
PubChem CID:	126692087
Reduced:	FNOC11H12 (3)
Stoich.:	ABCD11E12 (3)
Weight, g/mol:	323.072449
ΔH_f, kcal/mol:	-214.74
Dipole, Da:	6.43
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-6-(3-fluoro-4-methoxy-5-methylphenyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCCCC5)OC)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations