Geometry & MOs

Info

ID:	282865
PubChem CID:	103942791
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	2.18
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N2CCC(C2)CO)F)N

DOS

IR

Vibrations