Geometry & MOs

Info

ID:	238680
PubChem CID:	92765059
Reduced:	FO2N5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	298.262028
ΔH_f, kcal/mol:	9.78
Dipole, Da:	5.52
IP(EA), eV:	-8.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylpiperazin-1-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCN[C@@H](C3=CC=CC=C3F)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations