Geometry & MOs

Info

ID:	264636
PubChem CID:	103478634
Reduced:	BrNOCl3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	4.26
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-N-[1-(4-methoxyphenyl)propyl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations