Geometry & MOs

Info

ID:	297707
PubChem CID:	117626485
Reduced:	IOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	592.324748
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	2.39
IP(EA), eV:	-9.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-2-bicyclo[2.2.1]heptanyl) 5-[4-[4,4-dimethyl-5-oxo-5-[2-(3-oxobutanoyloxy)ethoxy]pentyl]-2,5-dioxooxolan-3-yl]-2-ethylpentanoate

Drug info:

PubChemData

Smile

C1C(O1)CCCCCCCCI

DOS

IR

Vibrations