Geometry & MOs

Info

ID:	68590
PubChem CID:	46508713
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	436.134697
ΔH_f, kcal/mol:	-149.3
Dipole, Da:	1.62
IP(EA), eV:	-8.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations