Geometry & MOs

Info

ID:	263261
PubChem CID:	103350266
Reduced:	BrClON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	28.64
Dipole, Da:	2.22
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(2-propan-2-ylphenoxy)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2N=C1)OCC3=CC(=CC(=C3)Br)N)Cl

DOS

IR

Vibrations