Geometry & MOs

Info

ID:	67125
PubChem CID:	46505918
Reduced:	O3C35H48 (1)
Stoich.:	A3B35C48 (1)
Weight, g/mol:	562.365825
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	6.3
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-tert-butylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC=C(C=C3)OCCCCC)/C2=O)C(C)(C)CC

DOS

IR

Vibrations