Geometry & MOs

Info

ID:	202510
PubChem CID:	79679720
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	4.17
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-pyrrolidin-1-ylbenzoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=C2Br)C(=O)O

DOS

IR

Vibrations