Geometry & MOs

Info

ID:	150400
PubChem CID:	53790089
Reduced:	N2O5C8H14 (1)
Stoich.:	A2B5C8D14 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-203.23
Dipole, Da:	4.56
IP(EA), eV:	-9.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)oxolan-2-one

Drug info:

PubChemData

Smile

COCCOC(=O)CC(=N)COC(=O)N

DOS

IR

Vibrations