Geometry & MOs

Info

ID:	320240
PubChem CID:	126658921
Reduced:	FON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	298.28718
ΔH_f, kcal/mol:	4.6
Dipole, Da:	3.37
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 2-hexylnonanoate

Drug info:

PubChemData

Smile

C1C2=C(C=CC=N2)C(N1CC3=C(C=C(C=C3)C4=CN=CC=C4)F)O

DOS

IR

Vibrations