Geometry & MOs

Info

ID:	150877
PubChem CID:	53790574
Reduced:	NF4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	425.162708
ΔH_f, kcal/mol:	-154.79
Dipole, Da:	6.94
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-methyl-4-(4-nitrophenoxy)phenyl]-4-(4-methylphenoxy)benzene

Drug info:

PubChemData

Smile

C1CC(CCC1C=CC=C(C#N)F)C=CC2CCC(CC2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations