Geometry & MOs

Info

ID:	422930
PubChem CID:	135118638
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	31.75
Dipole, Da:	5.72
IP(EA), eV:	-7.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(5-propylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)N3CCC(CC3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations