Geometry & MOs

Info

ID:	264633
PubChem CID:	103478231
Reduced:	BrClNC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	346.92795
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	4.34
IP(EA), eV:	-8.51(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC3=C(C(=CC=C3)Cl)Br

DOS

IR

Vibrations