Geometry & MOs

Info

ID:	67091
PubChem CID:	46505854
Reduced:	OS2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	520.00717
ΔH_f, kcal/mol:	-3.52
Dipole, Da:	3.76
IP(EA), eV:	-8.93(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-bromo-2-methoxyphenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=C(C=CS2)C)/C(=O)/C(=C/C3=C(C=CS3)C)/C1)(C)C

DOS

IR

Vibrations