Geometry & MOs

Info

ID:	80521
PubChem CID:	49834917
Reduced:	ON6C25H26 (1)
Stoich.:	AB6C25D26 (1)
Weight, g/mol:	385.165108
ΔH_f, kcal/mol:	103.64
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indazol-5-yl)-5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=C(C=N2)C3=NC(=NO3)C4=CC5=C(CNCC5)C=C4)C6=CC=NC=C6

DOS

IR

Vibrations