Geometry & MOs

Info

ID:	67083
PubChem CID:	46505839
Reduced:	OBr2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	459.98604
ΔH_f, kcal/mol:	12.33
Dipole, Da:	4.32
IP(EA), eV:	-9.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(2-bromophenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1C/C(=C\C2=CC=CC=C2Br)/C(=O)/C(=C\C3=CC=CC=C3Br)/C1

DOS

IR

Vibrations