Geometry & MOs

Info

ID:	79106
PubChem CID:	49746807
Reduced:	FO2N7H14C19 (1)
Stoich.:	AB2C7D14E19 (1)
Weight, g/mol:	403.139287
ΔH_f, kcal/mol:	81.44
Dipole, Da:	3.37
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations