Geometry & MOs

Info

ID:	398247
PubChem CID:	135032491
Reduced:	N2H24C25 (1)
Stoich.:	A2B24C25 (1)
Weight, g/mol:	298.078091
ΔH_f, kcal/mol:	90.21
Dipole, Da:	2.3
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5-pentafluoro-6-[(E)-2-methyl-3-phenylprop-2-enyl]benzene

Drug info:

PubChemData

Smile

C1CN2C(=CC(CC2(N1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations