Geometry & MOs

Info

ID:	200226
PubChem CID:	79365712
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	232.147473
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	2.34
IP(EA), eV:	-9.25(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-fluoro-2-(1-hydroxy-3,5-dimethylcyclohexyl)acetate

Drug info:

PubChemData

Smile

COCCNCC1CCOC1C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations