Geometry & MOs

Info

ID:	143281
PubChem CID:	53179095
Reduced:	O3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	356.159689
ΔH_f, kcal/mol:	35.13
Dipole, Da:	3.09
IP(EA), eV:	-8.85(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC=C(C=C2)C3=NC(=NO3)C)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations