Geometry & MOs

Info

ID:	134037
PubChem CID:	51628600
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	28.4
Dipole, Da:	1.98
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNCC2=CC(=CC=C2)OC3=NC=CC=N3

DOS

IR

Vibrations