Geometry & MOs

Info

ID:	134035
PubChem CID:	51628598
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	3.83
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNCC2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C)OC

DOS

IR

Vibrations