Geometry & MOs

Info

ID:	381621
PubChem CID:	134972413
Reduced:	N2F3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	400.99128
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	3.7
IP(EA), eV:	-9.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-4-(4-nitrophenyl)benzene

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(F)(F)F)C3=NC=CN31

DOS

IR

Vibrations