Geometry & MOs

Info

ID:	216549
PubChem CID:	85086404
Reduced:	O3N6C11H16 (1)
Stoich.:	A3B6C11D16 (1)
Weight, g/mol:	280.111087
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	1.65
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) 2-(5-ethyl-6-oxooxan-3-yl)acetate

Drug info:

PubChemData

Smile

COC(C1CC(CO1)N2C3=NC=NC(=C3N=N2)N)OC

DOS

IR

Vibrations