Geometry & MOs

Info

ID:	127463
PubChem CID:	51002967
Reduced:	SnO2F3C29H41 (1)
Stoich.:	AB2C3D29E41 (1)
Weight, g/mol:	410.149364
ΔH_f, kcal/mol:	-244.58
Dipole, Da:	3.22
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1,5-diphenylpent-1-en-3-yl] 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations