Geometry & MOs

Info

ID:	202687
PubChem CID:	79710017
Reduced:	BrClFNH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	307.03719
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	2.48
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-2-ethylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=CC(=CC(=C2)Br)F)Cl

DOS

IR

Vibrations