Geometry & MOs

Info

ID:	339242
PubChem CID:	127260621
Reduced:	O3C33H44 (1)
Stoich.:	A3B33C44 (1)
Weight, g/mol:	478.199153
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	4.17
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(3E)-2-oxo-3-[[4-(propanoyloxymethoxy)phenyl]methylidene]cyclohexylidene]methyl]phenoxy]methyl propanoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)/C=C/2\CCC(/C(=C\C3=CC=C(C=C3)OCCCCCC)/C2=O)C

DOS

IR

Vibrations