Geometry & MOs

Info

ID:	382396
PubChem CID:	134973528
Reduced:	OF3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	490.132726
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	4.45
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-amino-5-(trifluoromethyl)benzoyl]oxycyclohexyl] 3-amino-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CCC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations