Geometry & MOs

Info

ID:	294764
PubChem CID:	117489011
Reduced:	BrNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	303.02702
ΔH_f, kcal/mol:	-140.49
Dipole, Da:	8.25
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclobutyl]-5-bromo-3-fluoro-2-methoxyphenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C(CN)C(=O)O)Br

DOS

IR

Vibrations