Geometry & MOs

Info

ID:	290101
PubChem CID:	104408485
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	271.088768
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	3.02
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-3-fluoropyridin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)NC(C)C(=O)N2CCCC2

DOS

IR

Vibrations