Geometry & MOs

Info

ID:	133217
PubChem CID:	51495386
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	344.213816
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	6.31
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N3CCN4C=CC=C4[C@@H]3C(C)C

DOS

IR

Vibrations