Geometry & MOs

Info

ID:	160933
PubChem CID:	57390294
Reduced:	O4C9H12 (3)
Stoich.:	A4B9C12 (3)
Weight, g/mol:	340.072703
ΔH_f, kcal/mol:	-474.9
Dipole, Da:	4.13
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-3H-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]([C@@H](CO2)CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)CO

DOS

IR

Vibrations