Geometry & MOs

Info

ID:	394610
PubChem CID:	135023284
Reduced:	O2F3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	342.01346
ΔH_f, kcal/mol:	-249.38
Dipole, Da:	4.23
IP(EA), eV:	-8.65(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-[3-(trifluoromethyl)phenyl]selanylethenyl]benzene

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H](C1CCC2=O)CCC4=C3C=CC(=C4)OCC/C=C/CC(F)(F)F

DOS

IR

Vibrations