Geometry & MOs

Info

ID:	279071
PubChem CID:	103840914
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-103.94
Dipole, Da:	4.45
IP(EA), eV:	-9.37(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylbenzoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCN)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations