Geometry & MOs

Info

ID:	295089
PubChem CID:	117516368
Reduced:	BrO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	4.03
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1)Br)OC2CCCC2)OC)C(=O)O

DOS

IR

Vibrations