Geometry & MOs

Info

ID:	67081
PubChem CID:	46505832
Reduced:	OC26H30 (1)
Stoich.:	AB26C30 (1)
Weight, g/mol:	366.179522
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	3.54
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-4-tert-butyl-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/2\CC(C/C(=C/C3=CC=CC=C3C)/C2=O)C(C)(C)C

DOS

IR

Vibrations