Geometry & MOs

Info

ID:	79102
PubChem CID:	49746803
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	387.144373
ΔH_f, kcal/mol:	34.24
Dipole, Da:	3.25
IP(EA), eV:	-9.73(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=CC=C2)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations