Geometry & MOs

Info

ID:	376297
PubChem CID:	134222307
Reduced:	NO2F4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	426.161821
ΔH_f, kcal/mol:	-219.42
Dipole, Da:	6.05
IP(EA), eV:	-9.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(OC3=CC(=C(C=C3)OCF)F)(F)F

DOS

IR

Vibrations