Geometry & MOs

Info

ID:	130346
PubChem CID:	51075667
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	300.104084
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	3.68
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-6-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations