Geometry & MOs

Info

ID:	123182
PubChem CID:	50836617
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	3.61
Dipole, Da:	5.73
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=NC(=NO1)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C

DOS

IR

Vibrations