Geometry & MOs

Info

ID:	439480
PubChem CID:	135229254
Reduced:	O6H34C45 (1)
Stoich.:	A6B34C45 (1)
Weight, g/mol:	444.20893
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	2.82
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-prop-1-enyl]-2-[4-[1-[4-[2-[(E)-prop-1-enyl]phenoxy]phenyl]ethenyl]phenoxy]benzene

Drug info:

PubChemData

Smile

C=CC(=O)OC1=CC=C(C=C1)C2=CC(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C(C=CC(=C5)C6=CC=C(C=C6)OC(=O)C=C)OC(=O)C=C

DOS

IR

Vibrations