Geometry & MOs

Info

ID:	89508
PubChem CID:	49962191
Reduced:	BrNCl3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	328.93737
ΔH_f, kcal/mol:	24.56
Dipole, Da:	3.96
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-[(2-chlorophenyl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=C(C=C(C=C2)Cl)Cl)Cl)Br

DOS

IR

Vibrations