Geometry & MOs

Info

ID:	268214
PubChem CID:	103598424
Reduced:	F2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	313.122655
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	4.02
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCCNC(=O)C2=CC=C(C=C2)F)F

DOS

IR

Vibrations