Geometry & MOs

Info

ID:	389984
PubChem CID:	134996403
Reduced:	SN3O4C7H7 (1)
Stoich.:	AB3C4D7E7 (1)
Weight, g/mol:	248.157643
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	7.87
IP(EA), eV:	-9.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylcyclohexen-1-yl)oxy-4-fluorobenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)S(=O)(=O)O)N=[N+]=[N-]

DOS

IR

Vibrations