Geometry & MOs

Info

ID:	295090
PubChem CID:	117516631
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-143.57
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1C2CC(CN2)C(=O)O)Br)OC

DOS

IR

Vibrations