Geometry & MOs

Info

ID:	202481
PubChem CID:	79679340
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	5.8
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-pyrrolidin-1-ylbutanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations