Geometry & MOs

Info

ID:	38707
PubChem CID:	8137795
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	314.00662
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	3.11
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations