Geometry & MOs

Info

ID:	54991
PubChem CID:	17389631
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	2.4
IP(EA), eV:	-9.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-2-(4-methylphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1CCNC1C2=CC=CC=C2Cl

DOS

IR

Vibrations