Geometry & MOs

Info

ID:	290377
PubChem CID:	104438357
Reduced:	F2N3H9C15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	254.106671
ΔH_f, kcal/mol:	22.39
Dipole, Da:	6.61
IP(EA), eV:	-9.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations