Geometry & MOs

Info

ID:	323272
PubChem CID:	126673931
Reduced:	OC22H40 (2)
Stoich.:	AB22C40 (2)
Weight, g/mol:	528.490631
ΔH_f, kcal/mol:	-190.48
Dipole, Da:	5.38
IP(EA), eV:	-9.82(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(E)-heptadec-2-enylidene]-3-[(E)-hexadec-1-enyl]oxetan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC=C=C1C(C(=O)O1)/C=C/CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations