Geometry & MOs

Info

ID:	283126
PubChem CID:	103959346
Reduced:	FN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	5.3
IP(EA), eV:	-9.54(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])F)N

DOS

IR

Vibrations