Geometry & MOs

Info

ID:	55613
PubChem CID:	17395666
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	331.041149
ΔH_f, kcal/mol:	46.33
Dipole, Da:	3.4
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-6-methyl-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CNC3=CC=CC(=C3)C#N

DOS

IR

Vibrations