Geometry & MOs

Info

ID:	295165
PubChem CID:	117519559
Reduced:	BrO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	359.03684
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	6.25
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1CC(C)(C)C(=O)O)Br)OC)OC

DOS

IR

Vibrations