Geometry & MOs

Info

ID:	444264
PubChem CID:	135261920
Reduced:	F3O3C5H7 (1)
Stoich.:	A3B3C5D7 (1)
Weight, g/mol:	430.30831
ΔH_f, kcal/mol:	-284.56
Dipole, Da:	2.05
IP(EA), eV:	-10.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-heptoxyphenyl)-2-oxoethyl] 4-pentylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CF)C(F)F.C(=O)(O)O

DOS

IR

Vibrations