Geometry & MOs

Info

ID:	63086
PubChem CID:	26744219
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	328.166117
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	5.34
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-1-(1-benzofuran-2-ylmethyl)-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)NC(=O)C)O

DOS

IR

Vibrations