Geometry & MOs

Info

ID:	79122
PubChem CID:	49746908
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	98.43
Dipole, Da:	3.45
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(CN1C(=O)/C=C/C2=CC=CC=C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations