Geometry & MOs

Info

ID:	55142
PubChem CID:	17389814
Reduced:	ClNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-128.13
Dipole, Da:	1.95
IP(EA), eV:	-8.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(pyrrolidin-2-ylmethyl)piperazine;oxalic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2CCCN2.Cl

DOS

IR

Vibrations