Geometry & MOs

Info

ID:	82868
PubChem CID:	49856719
Reduced:	FN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	302.106671
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	6.15
IP(EA), eV:	-9.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1F)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations