Geometry & MOs

Info

ID:	312944
PubChem CID:	126610284
Reduced:	FOC27H29 (1)
Stoich.:	ABC27D29 (1)
Weight, g/mol:	396.20893
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	2.32
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(E)-pent-3-enyl]phenyl]phenyl] 4-[(E)-but-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCC=C)F

DOS

IR

Vibrations