Geometry & MOs

Info

ID:	79120
PubChem CID:	49746897
Reduced:	ClO3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	357.122575
ΔH_f, kcal/mol:	37.44
Dipole, Da:	5.75
IP(EA), eV:	-9.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations