Geometry & MOs

Info

ID:	151173
PubChem CID:	53790873
Reduced:	ClON5C37H40 (1)
Stoich.:	ABC5D37E40 (1)
Weight, g/mol:	420.110392
ΔH_f, kcal/mol:	75.22
Dipole, Da:	8.65
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-fluoro-4-[4-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylbutan-2-yl]oxybenzene

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)N2CC=C(C=C2CC3=CC=NC=C3)C(N)NN(C4=CC=C(C=C4)CCC)C(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations