Geometry & MOs

Info

ID:	56083
PubChem CID:	17404303
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	352.125692
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	5.74
IP(EA), eV:	-8.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-yl-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)N4CCOCC4)/C(=O)O2

DOS

IR

Vibrations