Geometry & MOs

Info

ID:	294278
PubChem CID:	117448824
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	278.98705
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	3.34
IP(EA), eV:	-8.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4,6-trifluorophenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C(=CC(=C2)C3=NN(C(=C3)N)C)Cl)C

DOS

IR

Vibrations