Geometry & MOs

Info

ID:	79138
PubChem CID:	49747051
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	90.3
Dipole, Da:	3.2
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CC(C1)C2=NC(=NO2)C3=NC=CN=C3

DOS

IR

Vibrations