Geometry & MOs

Info

ID:	79158
PubChem CID:	49747155
Reduced:	O4N5H15C16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	351.133139
ΔH_f, kcal/mol:	13.34
Dipole, Da:	3.85
IP(EA), eV:	-9.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations