Geometry & MOs

Info

ID:	123183
PubChem CID:	50836618
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	5.46
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3=NOC(=N3)C(=O)NCCCN4CCOCC4

DOS

IR

Vibrations