Geometry & MOs

Info

ID:	80602
PubChem CID:	49835443
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	81.69
Dipole, Da:	5.89
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COCC1=C(C=NN1C2CCCCC2)C3=NC(=NO3)C4=CC=C(C=C4)CN5C=NC=N5

DOS

IR

Vibrations