Geometry & MOs

Info

ID:	371681
PubChem CID:	131270404
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	257.04153
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	0.6
IP(EA), eV:	-9.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-methyl-5-[(2-methylpropan-2-yl)oxy]aniline

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(CNCC2)C(=C1)F

DOS

IR

Vibrations