Geometry & MOs

Info

ID:	433842
PubChem CID:	135173985
Reduced:	FSO4N6C23H23 (1)
Stoich.:	ABC4D6E23F23 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	6.08
IP(EA), eV:	-8.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NC2=NC(=C3C(=N2)N(C(=O)N3C4=CC(=CC=C4)O)C5CCCC5)N)F

DOS

IR

Vibrations