Geometry & MOs

Info

ID:	67124
PubChem CID:	46505917
Reduced:	O5C37H52 (1)
Stoich.:	A5B37C52 (1)
Weight, g/mol:	516.360345
ΔH_f, kcal/mol:	-187.64
Dipole, Da:	4.11
IP(EA), eV:	-8.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-4-(2-methylbutan-2-yl)-2,6-bis[(4-pentoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/C2=O)C(C)(C)CC)OCC

DOS

IR

Vibrations