Geometry & MOs

Info

ID:	169541
PubChem CID:	75118226
Reduced:	SO2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	5.16
Dipole, Da:	5.44
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

Drug info:

PubChemData

Smile

CCCCN1C2NN=C(N2C3=C(C1=O)SC=C3)CCC(=O)N4CCC(=CC4)C5=CC=CC=C5

DOS

IR

Vibrations