Geometry & MOs

Info

ID:	79105
PubChem CID:	49746806
Reduced:	ClO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	391.119301
ΔH_f, kcal/mol:	88.69
Dipole, Da:	4.77
IP(EA), eV:	-9.67(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-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)/C=C/C2=CC=CC=C2Cl)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations