Geometry & MOs

Info

ID:	186704
PubChem CID:	77469648
Reduced:	ClF3N3O3C28H31 (1)
Stoich.:	AB3C3D3E28F31 (1)
Weight, g/mol:	496.238928
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	4.92
IP(EA), eV:	-9.2(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-4-[2-[4-[2,3-difluoro-4-(4-methylphenyl)phenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCN(CC(=O)C=C(C)C1CCC(CC1)C)C(=O)C2=C(N3C=C(C=C(C3=N2)C(F)(F)F)C4=COC=C4)Cl

DOS

IR

Vibrations