Geometry & MOs

Info

ID:	405191
PubChem CID:	135072929
Reduced:	ON4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	55.18
Dipole, Da:	5.4
IP(EA), eV:	-9.45(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-but-3-enyl-2-oxooxepane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CN=CC2=C1C(=O)C(=NN)C=N2

DOS

IR

Vibrations