Geometry & MOs

Info

ID:	147192
PubChem CID:	53786846
Reduced:	SiO4F8C13H16 (1)
Stoich.:	AB4C8D13E16 (1)
Weight, g/mol:	433.239263
ΔH_f, kcal/mol:	-597.02
Dipole, Da:	2.28
IP(EA), eV:	-9.93(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[4-[2-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]ethenyl]cyclohexyl]pent-2-enenitrile

Drug info:

PubChemData

Smile

CC(C(C(C(OC(=O)C=CC(=O)OC[Si](C)(C)C)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations