Geometry & MOs

Info

ID:	200404
PubChem CID:	79382660
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	4.33
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1)C(=O)NC2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations