Geometry & MOs

Info

ID:	65360
PubChem CID:	29214789
Reduced:	SO2N10C16H24 (1)
Stoich.:	AB2C10D16E24 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	91.46
Dipole, Da:	6.88
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethylpiperazin-1-yl)-3-[3-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC3=NN=C(O3)COC

DOS

IR

Vibrations