Geometry & MOs

Info

ID:	427615
PubChem CID:	135160668
Reduced:	N3H25C36 (1)
Stoich.:	A3B25C36 (1)
Weight, g/mol:	501.94149
ΔH_f, kcal/mol:	176.04
Dipole, Da:	1.95
IP(EA), eV:	-8.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5-tetrafluoro-6-(fluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=C3C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C(C=C7)C8=CC=CC=C8)N

DOS

IR

Vibrations