Geometry & MOs

Info

ID:	79096
PubChem CID:	49746776
Reduced:	O2N9H13C17 (1)
Stoich.:	A2B9C13D17 (1)
Weight, g/mol:	372.133474
ΔH_f, kcal/mol:	172.31
Dipole, Da:	5.86
IP(EA), eV:	-10.3(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC(=CC=C2)N3C=NN=N3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations