Geometry & MOs

Info

ID:	155768
PubChem CID:	56367454
Reduced:	N3O4H23C25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	413.125467
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	6.69
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(O2)C(=O)NCCC(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations