Geometry & MOs

Info

ID:	294992
PubChem CID:	117511138
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	8.22
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C(CN)C(=O)O)Br)OCCO2

DOS

IR

Vibrations