Geometry & MOs

Info

ID:	67106
PubChem CID:	46505883
Reduced:	OC29H36 (1)
Stoich.:	AB29C36 (1)
Weight, g/mol:	520.318875
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	4.57
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)CC)/CC(C2)C(CC)(C)C

DOS

IR

Vibrations