Geometry & MOs

Info

ID:	53484
PubChem CID:	14716314
Reduced:	O5C36H46 (1)
Stoich.:	A5B36C46 (1)
Weight, g/mol:	534.27701
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	8.82
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-phenylpropanoyl)phenyl] 4-(4-octoxyphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)CCC(C)CC)O

DOS

IR

Vibrations