Geometry & MOs

Info

ID:	328384
PubChem CID:	126705435
Reduced:	F3N3H10C17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	302.172939
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	6.47
IP(EA), eV:	-8.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-acetyloxypropan-2-yloxy)-1-oxopropan-2-yl] 2,3,3-trimethylbutanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C3=NC4=C(C=C(C=C4)C(F)(F)F)C(=C3C=C2)N)N=C1

DOS

IR

Vibrations