Geometry & MOs

Info

ID:	244591
PubChem CID:	99368086
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	436.07978
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	3.72
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[3-[(2-hydroxyphenyl)methyl-propylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)CCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations