Geometry & MOs

Info

ID:	63105
PubChem CID:	26744256
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	325.166451
ΔH_f, kcal/mol:	5.38
Dipole, Da:	1.25
IP(EA), eV:	-9.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(1H-indol-3-ylmethyl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](CN3CCCC4=CC=CC=C4)O

DOS

IR

Vibrations