Geometry & MOs

Info

ID:	264635
PubChem CID:	103478525
Reduced:	BrClN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	378.89331
ΔH_f, kcal/mol:	45.58
Dipole, Da:	3.66
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-chloroanilino)methyl]-4,6-dichlorophenol

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)CNC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations