Geometry & MOs

Info

ID:	322801
PubChem CID:	126671184
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	556.492757
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	2.59
IP(EA), eV:	-8.25(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[5-[(2R)-3-(4-tert-butylpiperazin-1-yl)-2-hydroxypropoxy]-2,4,4-trimethylpentan-2-yl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-2-ol

Drug info:

PubChemData

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CC(CNC(C)(C)C)OC1=CC2=C(C=C1)C=C(O2)C(C)(C)C

DOS

IR

Vibrations