Geometry & MOs

Info

ID:	419056
PubChem CID:	135107405
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	6.28
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@]2([C@H]1CN(CC2)CC3=CC=C(O3)C4=CC=NN4)CO

DOS

IR

Vibrations