Geometry & MOs

Info

ID:	173898
PubChem CID:	75695353
Reduced:	N2O6C26H37 (1)
Stoich.:	A2B6C26D37 (1)
Weight, g/mol:	382.187915
ΔH_f, kcal/mol:	-243.86
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764360
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(2-methoxyethoxy)pyridin-2-yl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4=CC(=NOCC(=O)N5CC(CC5C(=O)[O-])O)CCC34C

DOS

IR

Vibrations