Geometry & MOs

Info

ID:	263322
PubChem CID:	103356879
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	282.174356
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	4.11
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)CCCC(=O)C2=CC=CS2)O

DOS

IR

Vibrations