Geometry & MOs

Info

ID:	20034
PubChem CID:	577196
Reduced:	FO3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	410.225723
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	5.09
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(2-fluoroethyl)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(=O)C2=CC=C(C=C2)CCF)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations