Geometry & MOs

Info

ID:	197161
PubChem CID:	78930610
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	4.28
IP(EA), eV:	-9.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(4-chlorophenoxy)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC(C)C(=O)NC(=O)N)O

DOS

IR

Vibrations