Geometry & MOs

Info

ID:	200718
PubChem CID:	79431260
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	359.94835
ΔH_f, kcal/mol:	2.25
Dipole, Da:	3.65
IP(EA), eV:	-9.03(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromophenyl)-3-chloropropyl]-2-chloro-4-fluorobenzene

Drug info:

PubChemData

Smile

CC(C)C1CCNCC1C2=CC(=CC=C2)Br

DOS

IR

Vibrations