Geometry & MOs

Info

ID:	63065
PubChem CID:	26744180
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	316.166117
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	4.1
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-1-(cyclopropylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=NC=CN4)O

DOS

IR

Vibrations