Geometry & MOs

Info

ID:	67080
PubChem CID:	46505830
Reduced:	OF2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	358.229666
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	4.62
IP(EA), eV:	-9.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/C1

DOS

IR

Vibrations