Geometry & MOs

Info

ID:	67088
PubChem CID:	46505850
Reduced:	O7C28H34 (1)
Stoich.:	A7B28C34 (1)
Weight, g/mol:	530.230453
ΔH_f, kcal/mol:	-202.85
Dipole, Da:	4.93
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-phenyl-2,6-bis[(2,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=C(C(=C(C=C2)OC)OC)OC)/C(=O)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/C1

DOS

IR

Vibrations