Geometry & MOs

Info

ID:	289445
PubChem CID:	104354071
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	3.53
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(5-chloro-2-hydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)CC2=CC(=C(C(=C2)F)O)F

DOS

IR

Vibrations