Geometry & MOs

Info

ID:	138115
PubChem CID:	52315791
Reduced:	N3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	224.176287
ΔH_f, kcal/mol:	60.57
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752027
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-5-[(3S)-1-(3-methylbutyl)pyrrolidin-1-ium-3-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)[NH+]1CC[C@@H](C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations