Geometry & MOs

Info

ID:	67067
PubChem CID:	46505804
Reduced:	O3C27H32 (1)
Stoich.:	A3B27C32 (1)
Weight, g/mol:	412.136071
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	4.22
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(3-chlorophenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC=CC=C2OC)/C(=O)/C(=C/C3=CC=CC=C3OC)/C1)(C)C

DOS

IR

Vibrations