Geometry & MOs

Info

ID:	138878
PubChem CID:	52438585
Reduced:	ClN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	354.17102
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	4.12
IP(EA), eV:	-8.34(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC[C@H](CN2CCN(CC2)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations