Geometry & MOs

Info

ID:	406190
PubChem CID:	135076852
Reduced:	FH17C22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	546.091119
ΔH_f, kcal/mol:	57.02
Dipole, Da:	2.96
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,6-bis[[4-(trifluoromethyl)phenyl]methyl]cyclohexen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=CC=CC=C2C3=C(C=CC(=C3)C)F

DOS

IR

Vibrations