Geometry & MOs

Info

ID:	225413
PubChem CID:	85756793
Reduced:	O2H13C20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	14.86
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.877486
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-chlorophenyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC3=CC=CC=C3OC2=CC4=[O+]C5=CC=CC=C5C=C41

DOS

IR

Vibrations