Geometry & MOs

Info

ID:	268162
PubChem CID:	103598149
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	375.138305
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	7.97
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Cl)NC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations