Geometry & MOs

Info

ID:	433481
PubChem CID:	135173618
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	5.09
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-(hydroxymethyl)-4-(2-oxopropyl)piperazin-1-yl]propyl]phenyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(C[C@@H]1N)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations