Geometry & MOs

Info

ID:	65357
PubChem CID:	29214785
Reduced:	OSN10C17H26 (1)
Stoich.:	ABC10D17E26 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	120.75
Dipole, Da:	7.16
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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)C(C)C

DOS

IR

Vibrations