Geometry & MOs

Info

ID:	218014
PubChem CID:	85088745
Reduced:	BrO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	421.150093
ΔH_f, kcal/mol:	-175.31
Dipole, Da:	2.63
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(OC1O)COCC2=CC=C(C=C2)Br)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations