Geometry & MOs

Info

ID:	45445
PubChem CID:	10513513
Reduced:	BrNO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	228.079787
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	3.58
IP(EA), eV:	-8.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-fluoroethoxy)-4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CNC2=C1C(=CC(=C2O)Br)O

DOS

IR

Vibrations