Geometry & MOs

Info

ID:	339584
PubChem CID:	127261574
Reduced:	O5C19H28 (1)
Stoich.:	A5B19C28 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-231.34
Dipole, Da:	4.81
IP(EA), eV:	-9.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-1-phenylpyrazolidin-3-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC(CC)OCCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations