Geometry & MOs

Info

ID:	185441
PubChem CID:	77300352
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	2.58
IP(EA), eV:	-9.69(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclohexylphenyl)-5-(5-methylpyrazolidin-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C3C=C(C=CC3=N2)N4C=CN=C4.C(=CC(=O)O)C(=O)O.O

DOS

IR

Vibrations