Geometry & MOs

Info

ID:	142587
PubChem CID:	53062461
Reduced:	O2N4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	433.149852
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	4.59
IP(EA), eV:	-8.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations