Geometry & MOs

Info

ID:	323267
PubChem CID:	126673909
Reduced:	IN4O4C12H19 (1)
Stoich.:	AB4C4D12E19 (1)
Weight, g/mol:	472.428031
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	5.37
IP(EA), eV:	-9.9(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(E)-pentadec-2-enylidene]-3-[(E)-tetradec-1-enyl]oxetan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C(N=N1)CNC(=O)OC(C)(C)C)I

DOS

IR

Vibrations