Geometry & MOs

Info

ID:	89509
PubChem CID:	49962192
Reduced:	BrNCl2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	308.99199
ΔH_f, kcal/mol:	33.54
Dipole, Da:	5.17
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)Br)Cl)Cl

DOS

IR

Vibrations