Geometry & MOs

Info

ID:	67014
PubChem CID:	46505699
Reduced:	O5C33H44 (1)
Stoich.:	A5B33C44 (1)
Weight, g/mol:	492.287574
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	3.21
IP(EA), eV:	-8.12(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=CC(=C(C=C2)OCCC(C)C)OC)/C(=O)/C(=C\C3=CC(=C(C=C3)OCCC(C)C)OC)/C1

DOS

IR

Vibrations