Geometry & MOs

Info

ID:	61205
PubChem CID:	26707068
Reduced:	BrN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	8.44
IP(EA), eV:	-8.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-fluoro-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations