Geometry & MOs

Info

ID:	433162
PubChem CID:	135173299
Reduced:	FC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	430.256668
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	2.05
IP(EA), eV:	-10.6(3.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4,5-trimethyl-5-[2-(3-methyl-2-oxobutoxy)-2-oxoethoxy]-3-oxohexan-2-yl] 2-propan-2-yloxypropanoate

Drug info:

PubChemData

Smile

CCC1CCCC(C1CC)F

DOS

IR

Vibrations