Geometry & MOs

Info

ID:	375003
PubChem CID:	131408736
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	274.99572
ΔH_f, kcal/mol:	4.79
Dipole, Da:	2.65
IP(EA), eV:	-9.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoprop-1-enyl)-4-bromo-2-fluoro-6-methoxyphenol

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)Cl)C(C#N)N

DOS

IR

Vibrations