Geometry & MOs

Info

ID:	295192
PubChem CID:	117520962
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	7.25
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1C3CC(CN3)C(=O)O)Br)OCCCO2

DOS

IR

Vibrations