Geometry & MOs

Info

ID:	155115
PubChem CID:	56320708
Reduced:	BrO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	454.0295
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	3.28
IP(EA), eV:	-9.41(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations