Geometry & MOs

Info

ID:	443296
PubChem CID:	135258450
Reduced:	OF2N3C8H10 (2)
Stoich.:	AB2C3D8E10 (2)
Weight, g/mol:	352.14633
ΔH_f, kcal/mol:	-236.85
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-(4-phenoxyphenoxy)phenyl]benzene

Drug info:

PubChemData

Smile

CCNC1=NC(=NC=C1C(F)(F)F)NC2=CN(N=C2C)[C@]3(CCOC3O)CF

DOS

IR

Vibrations