Geometry & MOs

Info

ID:	54842
PubChem CID:	17389388
Reduced:	O4C8N9H11 (1)
Stoich.:	A4B8C9D11 (1)
Weight, g/mol:	459.98604
ΔH_f, kcal/mol:	94.49
Dipole, Da:	2.6
IP(EA), eV:	-8.88(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6Z)-2,6-bis[(3-bromophenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C(CNC(=O)C1=NON=C1N)N/C(=C\2/C(=NON2)N)/N=O

DOS

IR

Vibrations