Geometry & MOs

Info

ID:	294993
PubChem CID:	117511158
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	4.66
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C2CC(CN2)C(=O)O)O)OC

DOS

IR

Vibrations