Geometry & MOs

Info

ID:	63074
PubChem CID:	26744200
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	308.161031
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	3.05
IP(EA), eV:	-8.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2CC3=CC=C(C=C3)N(C)C)O

DOS

IR

Vibrations