Geometry & MOs

Info

ID:	67111
PubChem CID:	46505895
Reduced:	OC30H30 (1)
Stoich.:	AB30C30 (1)
Weight, g/mol:	526.271924
ΔH_f, kcal/mol:	28.21
Dipole, Da:	3.58
IP(EA), eV:	-9.18(-0.4)
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-phenylcyclohexan-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)C4=CC=CC=C4

DOS

IR

Vibrations