Geometry & MOs

Info

ID:	435737
PubChem CID:	135192279
Reduced:	ClC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	643.307342
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	3.21
IP(EA), eV:	-9.81(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-difluoro-4-[4-[1-hydroxy-6-[4-(4-propylcyclohexyl)phenyl]hexoxy]phenyl]phenyl]-2,6-difluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C(C)C(=C)Cl)C(=C)Cl

DOS

IR

Vibrations