Geometry & MOs

Info

ID:	169644
PubChem CID:	75131098
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	5.79
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC=N1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)OC

DOS

IR

Vibrations