Geometry & MOs

Info

ID:	292673
PubChem CID:	117356831
Reduced:	BrON3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	38.35
Dipole, Da:	4.38
IP(EA), eV:	-8.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-aminoprop-1-enyl]-6-bromo-3-methylphenol

Drug info:

PubChemData

Smile

C1=CC2=NNC(=C2C(=C1)CON)Br

DOS

IR

Vibrations