Geometry & MOs

Info

ID:	294994
PubChem CID:	117511161
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-132.88
Dipole, Da:	4.8
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OC)Br)C2CC(CN2)C(=O)O

DOS

IR

Vibrations