Geometry & MOs

Info

ID:	77530
PubChem CID:	49649995
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	331.062677
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	7.19
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-oxo-4-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)C(C#N)C(=O)C2CCC2)OCC(=O)N

DOS

IR

Vibrations