Geometry & MOs

Info

ID:	169646
PubChem CID:	75131178
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	1.18
Dipole, Da:	3.1
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCCC1C2=NC(=NO2)C3=CN=C(C=C3)NCCOC

DOS

IR

Vibrations