Geometry & MOs

Info

ID:	121895
PubChem CID:	50785835
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	5.93
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1CCCN(C1)C2=NN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations