Geometry & MOs

Info

ID:	123171
PubChem CID:	50836301
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)-2-[[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3OC4=CC=CC=C4

DOS

IR

Vibrations