Geometry & MOs

Info

ID:	295199
PubChem CID:	117521202
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	1.92
Dipole, Da:	3.9
IP(EA), eV:	-9.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylphenyl)ethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2(CCCN2)C#N

DOS

IR

Vibrations