Geometry & MOs

Info

ID:	67076
PubChem CID:	46505821
Reduced:	OF2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	338.148222
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	4.24
IP(EA), eV:	-9.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1C/C(=C\C2=CC=CC=C2F)/C(=O)/C(=C/C3=CC=CC=C3F)/C1)(C)C

DOS

IR

Vibrations