Geometry & MOs

Info

ID:

314132

PubChem CID:

126620556

Reduced:

NSH39C54 (1)

Stoich.:

ABC39D54 (1)

Weight, g/mol:

434.222135

ΔHf, kcal/mol:

246.77

Dipole, Da:

10.03

IP(EA), eV:

 -6.54(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-but-3-enyl-4-[4-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]-2-fluorobenzene

Drug info:

PubChemData

Smile

CS1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C=C(C5=C4C=CC(=C5)C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations