Geometry & MOs

Info

ID:	79125
PubChem CID:	49746976
Reduced:	O3N7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	374.112738
ΔH_f, kcal/mol:	49.52
Dipole, Da:	7.13
IP(EA), eV:	-9.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations