Geometry & MOs

Info

ID:	147452
PubChem CID:	53787108
Reduced:	OF6H8C14 (1)
Stoich.:	AB6C8D14 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-291.86
Dipole, Da:	3.96
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxypropylideneamino) 3,3,5-trimethylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1F)C2=C(C=C(C=C2)F)F)C(F)(F)F

DOS

IR

Vibrations