Geometry & MOs

Info

ID:	397109
PubChem CID:	135029746
Reduced:	O2F3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	316.159393
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	2.23
IP(EA), eV:	-9.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-1-(4-chlorophenoxy)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/COC2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations