Geometry & MOs

Info

ID:	265633
PubChem CID:	103535039
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-102.71
Dipole, Da:	5.02
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methoxypyrrolidin-1-yl)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

COC1CCN(C1)C2=C(C=CC(=C2)Br)C(=O)O

DOS

IR

Vibrations