Geometry & MOs

Info

ID:	339241
PubChem CID:	127260620
Reduced:	ON2H36C44 (1)
Stoich.:	AB2C36D44 (1)
Weight, g/mol:	488.329045
ΔH_f, kcal/mol:	142.33
Dipole, Da:	3.67
IP(EA), eV:	-8.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-hexoxyphenyl)methylidene]-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1C/C(=C\C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)/C(=C/C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)/C1

DOS

IR

Vibrations