Geometry & MOs

Info

ID:	448351
PubChem CID:	135290311
Reduced:	BrN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	478.99826
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	2.92
IP(EA), eV:	-8.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2-bromo-4-chloro-5-(3-methoxypropoxy)phenyl]pyrrolidine-1,2,2-tricarboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(N1N)C2=CC(=C(C=C2Br)OC)OCC3=CC=CC=C3)C

DOS

IR

Vibrations