Geometry & MOs

Info

ID:	312958
PubChem CID:	126610393
Reduced:	FC31H33 (1)
Stoich.:	AB31C33 (1)
Weight, g/mol:	382.229666
ΔH_f, kcal/mol:	23.02
Dipole, Da:	1.68
IP(EA), eV:	-9.12(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-4-[[4-[4-[(E)-pent-3-enyl]phenyl]phenoxy]methyl]benzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)C2=C(C=C(C=C2)C/C=C/CC3=CC=C(C=C3)CCC=C)F

DOS

IR

Vibrations