Geometry & MOs

Info

ID:	79111
PubChem CID:	49746814
Reduced:	O4N7H19C21 (1)
Stoich.:	A4B7C19D21 (1)
Weight, g/mol:	374.149124
ΔH_f, kcal/mol:	50.34
Dipole, Da:	2.61
IP(EA), eV:	-8.36(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindol-3-yl)-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations