Geometry & MOs

Info

ID:	155597
PubChem CID:	56366175
Reduced:	BrO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	439.02983
ΔH_f, kcal/mol:	18.87
Dipole, Da:	2.75
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-chlorophenoxy)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCC(=O)NCC2=CC=NC=C2)N3C=C(C=N3)Br

DOS

IR

Vibrations