Geometry & MOs

Info

ID:	67062
PubChem CID:	46505790
Reduced:	NO3C36H43 (1)
Stoich.:	AB3C36D43 (1)
Weight, g/mol:	460.297745
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	0.91
IP(EA), eV:	-8.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CN(C/C(=C/C3=CC=C(C=C3)OCCCCC)/C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations