Geometry & MOs

Info

ID:	222322
PubChem CID:	85296688
Reduced:	IOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	354.110338
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	3.27
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14-acetyloxy-3,10-dioxo-13-tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,15-tetraenyl) acetate

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCC(=C(CC)I)CC

DOS

IR

Vibrations