Geometry & MOs

Info

ID:	54990
PubChem CID:	17389629
Reduced:	FNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-130.54
Dipole, Da:	4.87
IP(EA), eV:	-9.36(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1CCNC1C2=CC=C(C=C2)F

DOS

IR

Vibrations