Geometry & MOs

Info

ID:	67075
PubChem CID:	46505820
Reduced:	O5C30H38 (1)
Stoich.:	A5B30C38 (1)
Weight, g/mol:	366.179522
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	5.19
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCC)OC)/CC(C2)C(C)(C)C)OC

DOS

IR

Vibrations