Geometry & MOs

Info

ID:	14539
PubChem CID:	414076
Reduced:	BrNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	230.98949
ΔH_f, kcal/mol:	-55.27
Dipole, Da:	4.46
IP(EA), eV:	-8.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,5-dimethoxyaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)N)Br)OC

DOS

IR

Vibrations