Geometry & MOs

Info

ID:	315484
PubChem CID:	126626997
Reduced:	O2N3C31H37 (1)
Stoich.:	A2B3C31D37 (1)
Weight, g/mol:	426.197063
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	7.72
IP(EA), eV:	-7.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-5-[4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C=C)(C)C

DOS

IR

Vibrations